Grbović-Novaković, Jasmina

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Authority KeyName Variants
orcid::0000-0002-8481-6407
  • Grbović-Novaković, Jasmina (54)
  • Grbović, Jasmina (9)
Projects
Synthesis, processing and characterization of nanostructured materials for application in the field of energy, mechanical engineering, environmental protection and biomedicine Investigation of intermetallics and semiconductors and possible application in renewable energy sources
Physics and Chemistry with Ion Beams Nanostructured multifunctional materials and nanocomposites
Istraživanja lokalnih struktura i klastera u čvrstom stanju Design, development and implementation of the new generation of ADI materials
Acciones Integradas program of Spanish MICINN [IB2010SE-00191], Spanish MICINN [MAT2011-22780] Agency for Science, Innovation and Technology at Lithuania [31V-137]
COST Action [MP 1103] COST Action [MP1103], PAT (Provincia Autonoma di Trento) project ENAM
Croatian Science Foundation [PKP-2016-06-4480] ENEA, Italian National Agency for New Technologies, Energy and Sustainable Economic Development, project HYDROSTORE - Italian Industria Program [EEO I 00004], COST Action MP1103 Nanostructured materials for solid state hydrogen storage
Environmental Protection and Energy Efficiency Fund of the Republic of Croatia ESTEEM 2 - Enabling Science and Technology through European Electron Microscopy
Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200108 (University of Kragujevac, Faculty of Mechanical Engineering, Kraljevo) Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200156 (University of Novi Sad, Faculty of Technical Science)
Lithium-ion batteries and fuel cells - research and development Kvantni modeli otvorenih sistema
Strukturne i magnetne osobine nanočestičnih i polikristalnih oksida retkih zemalja i 3d metala. Nanostrukturni neoksidni keramički i karbonski materijali i njihovi kompoziti
Italian Ministry of Research (MIUR) Ministry of Environment and Energy, Ministry of Science and Education, Environmental Protection and Energy Efficiency Fund, Croatian Science Foundation under the project New Materials for Energy Storage
Ministry of Science and Technological development of Republic of Serbia [141009, 142027] Ministry of Science and Technological Development of Republic of Serbia [142027, 141009]
Ministry of Science and Technological Development of the Republic of Serbia [142016, 142027] MSEP of Serbia [142027, 141009, 142047]
Serbian Ministry of Science and Technological [142016, 141001] Serbian Ministry of Science and Technology
Serbian Ministry of Science and Technology [141009, 142016, 142027] Spanish MICINN [IB2010SE-00191, MAT2011-22780]

Author's Bibliography

The Effect of Water Concentration in Ethyl Alcohol on the Environmentally Assisted Embrittlement of Austempered Ductile Irons

Janjatović, Petar; Erić-Cekić, Olivera; Siđanin, Leposava; Balos, Sebastian; Dramićanin, Miroslav; Grbović-Novaković, Jasmina; Rajnović, Dragan

(2021)

TY  - JOUR
AU  - Janjatović, Petar
AU  - Erić-Cekić, Olivera
AU  - Siđanin, Leposava
AU  - Balos, Sebastian
AU  - Dramićanin, Miroslav
AU  - Grbović-Novaković, Jasmina
AU  - Rajnović, Dragan
PY  - 2021
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9179
AB  - Austempered ductile iron (ADI) is an advanced cast iron material that has a broad field of application and, among others, it is used in contact and for conveyance of fluids. However, it is noticed that in contact with some fluids, especially water, ADI material becomes brittle. The most significant decrease is established for the elongation. However, the influence of water and the cause of this phenomenon is still not fully understood. For that reason, in this paper, the influence of different water concentrations in ethyl alcohol on the mechanical properties of ADI materials was studied. The test was performed on two different types of ADI materials in 0.2, 4, 10, and 100 vol.% water concentration environments, and in dry condition. It was found that even the smallest concentration of water (0.2 vol.%) causes formation of the embrittled zone at fracture surface. However, not all mechanical properties were affected equally and not all water concentrations have been critical. The highest deterioration was established in the elongation, followed by the ultimate tensile strength, while the proof strength was affected least.
T2  - Metals
T1  - The Effect of Water Concentration in Ethyl Alcohol on the Environmentally Assisted Embrittlement of Austempered Ductile Irons
VL  - 11
IS  - 1
SP  - 94
DO  - 10.3390/met11010094
ER  - 
@article{
author = "Janjatović, Petar and Erić-Cekić, Olivera and Siđanin, Leposava and Balos, Sebastian and Dramićanin, Miroslav and Grbović-Novaković, Jasmina and Rajnović, Dragan",
year = "2021",
abstract = "Austempered ductile iron (ADI) is an advanced cast iron material that has a broad field of application and, among others, it is used in contact and for conveyance of fluids. However, it is noticed that in contact with some fluids, especially water, ADI material becomes brittle. The most significant decrease is established for the elongation. However, the influence of water and the cause of this phenomenon is still not fully understood. For that reason, in this paper, the influence of different water concentrations in ethyl alcohol on the mechanical properties of ADI materials was studied. The test was performed on two different types of ADI materials in 0.2, 4, 10, and 100 vol.% water concentration environments, and in dry condition. It was found that even the smallest concentration of water (0.2 vol.%) causes formation of the embrittled zone at fracture surface. However, not all mechanical properties were affected equally and not all water concentrations have been critical. The highest deterioration was established in the elongation, followed by the ultimate tensile strength, while the proof strength was affected least.",
journal = "Metals",
title = "The Effect of Water Concentration in Ethyl Alcohol on the Environmentally Assisted Embrittlement of Austempered Ductile Irons",
volume = "11",
number = "1",
pages = "94",
doi = "10.3390/met11010094"
}
Janjatović, P., Erić-Cekić, O., Siđanin, L., Balos, S., Dramićanin, M., Grbović-Novaković, J.,& Rajnović, D.. (2021). The Effect of Water Concentration in Ethyl Alcohol on the Environmentally Assisted Embrittlement of Austempered Ductile Irons. in Metals, 11(1), 94.
https://doi.org/10.3390/met11010094
Janjatović P, Erić-Cekić O, Siđanin L, Balos S, Dramićanin M, Grbović-Novaković J, Rajnović D. The Effect of Water Concentration in Ethyl Alcohol on the Environmentally Assisted Embrittlement of Austempered Ductile Irons. in Metals. 2021;11(1):94.
doi:10.3390/met11010094 .
Janjatović, Petar, Erić-Cekić, Olivera, Siđanin, Leposava, Balos, Sebastian, Dramićanin, Miroslav, Grbović-Novaković, Jasmina, Rajnović, Dragan, "The Effect of Water Concentration in Ethyl Alcohol on the Environmentally Assisted Embrittlement of Austempered Ductile Irons" in Metals, 11, no. 1 (2021):94,
https://doi.org/10.3390/met11010094 . .
2
2
2

Life Cycle Energy Assessment of biohydrogen production via biogas steam reforming: Case study of biogas plant on a farm in Serbia

Cvetković, Slobodan M.; Kaluđerović-Radoičić, Tatjana; Kijevčanin, Mirjana; Grbović-Novaković, Jasmina

(2021)

TY  - JOUR
AU  - Cvetković, Slobodan M.
AU  - Kaluđerović-Radoičić, Tatjana
AU  - Kijevčanin, Mirjana
AU  - Grbović-Novaković, Jasmina
PY  - 2021
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9128
AB  - The aim of this paper is to demonstrate and to quantify energy flows in a life cycle of biogas to biohydrogen production, starting from feedstock materials via anaerobic digestion, biogas upgrading, biohydrogen production, to the end of biogas system (application of digestate as fertilizer in agriculture). The performance of the biogas plant of Mirotin dairy farm in Serbia has been assessed. According to Life Cycle Energy Assessment approach, results obtained in this study have shown that biohydrogen production via biogas steam reforming has negative energy balance (with −16,837 GJ). It has also been demonstrated that this process is energy unsustainable in an environmental context. In future analysis it would be necessary to consider the other aspects of sustainability, e.g. the economical and social factors in order to estimate the overall sustainability of the biogas utilization pathways, especially having in mind that the technology of converting biogas to hydrogen is still in the development phase. © 2021 Hydrogen Energy Publications LLC
T2  - International Journal of Hydrogen Energy
T1  - Life Cycle Energy Assessment of biohydrogen production via biogas steam reforming: Case study of biogas plant on a farm in Serbia
VL  - 46
IS  - 27
SP  - 14130
EP  - 14137
DO  - 10.1016/j.ijhydene.2021.01.181
ER  - 
@article{
author = "Cvetković, Slobodan M. and Kaluđerović-Radoičić, Tatjana and Kijevčanin, Mirjana and Grbović-Novaković, Jasmina",
year = "2021",
abstract = "The aim of this paper is to demonstrate and to quantify energy flows in a life cycle of biogas to biohydrogen production, starting from feedstock materials via anaerobic digestion, biogas upgrading, biohydrogen production, to the end of biogas system (application of digestate as fertilizer in agriculture). The performance of the biogas plant of Mirotin dairy farm in Serbia has been assessed. According to Life Cycle Energy Assessment approach, results obtained in this study have shown that biohydrogen production via biogas steam reforming has negative energy balance (with −16,837 GJ). It has also been demonstrated that this process is energy unsustainable in an environmental context. In future analysis it would be necessary to consider the other aspects of sustainability, e.g. the economical and social factors in order to estimate the overall sustainability of the biogas utilization pathways, especially having in mind that the technology of converting biogas to hydrogen is still in the development phase. © 2021 Hydrogen Energy Publications LLC",
journal = "International Journal of Hydrogen Energy",
title = "Life Cycle Energy Assessment of biohydrogen production via biogas steam reforming: Case study of biogas plant on a farm in Serbia",
volume = "46",
number = "27",
pages = "14130-14137",
doi = "10.1016/j.ijhydene.2021.01.181"
}
Cvetković, S. M., Kaluđerović-Radoičić, T., Kijevčanin, M.,& Grbović-Novaković, J.. (2021). Life Cycle Energy Assessment of biohydrogen production via biogas steam reforming: Case study of biogas plant on a farm in Serbia. in International Journal of Hydrogen Energy, 46(27), 14130-14137.
https://doi.org/10.1016/j.ijhydene.2021.01.181
Cvetković SM, Kaluđerović-Radoičić T, Kijevčanin M, Grbović-Novaković J. Life Cycle Energy Assessment of biohydrogen production via biogas steam reforming: Case study of biogas plant on a farm in Serbia. in International Journal of Hydrogen Energy. 2021;46(27):14130-14137.
doi:10.1016/j.ijhydene.2021.01.181 .
Cvetković, Slobodan M., Kaluđerović-Radoičić, Tatjana, Kijevčanin, Mirjana, Grbović-Novaković, Jasmina, "Life Cycle Energy Assessment of biohydrogen production via biogas steam reforming: Case study of biogas plant on a farm in Serbia" in International Journal of Hydrogen Energy, 46, no. 27 (2021):14130-14137,
https://doi.org/10.1016/j.ijhydene.2021.01.181 . .
1

DFT study of boron doped MgH2: Bonding mechanism, hydrogen diffusion and desorption

Kurko, Sandra V.; Paskaš Mamula, Bojana; Rmuš, Jelena; Grbović-Novaković, Jasmina; Novaković, Nikola

(2020)

TY  - JOUR
AU  - Kurko, Sandra V.
AU  - Paskaš Mamula, Bojana
AU  - Rmuš, Jelena
AU  - Grbović-Novaković, Jasmina
AU  - Novaković, Nikola
PY  - 2020
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/8560
AB  - The impact of boron doping on MgH2 bonding mechanism, hydrogen diffusion and desorption was calculated using density functional theory (DFT). Atomic interactions in doped and non-doped system and its influence on hydrogen and vacancy diffusion were studied in bulk hydride. Slab calculations were performed to study hydrogen desorption energies from (110) boron doped surface and its dependence on the surface configuration and depth position. To study kinetics of hydrogen diffusion in boron vicinity and hydrogen molecule desorption activation energies from boron doped and non-doped (110) MgH2 surface Nudged Elastic Band (NEB) method was used. Results showed that boron forms stronger, covalent bonds with hydrogen causing the destabilization in its first and second coordination. This leads to lower hydrogen desorption energies and improved hydrogen diffusion, while the impact on the energy barriers for H2 desorption from hydride (110) surface is less pronounced. © 2019 Hydrogen Energy Publications LLC
T2  - International Journal of Hydrogen Energy
T1  - DFT study of boron doped MgH2: Bonding mechanism, hydrogen diffusion and desorption
VL  - 45
IS  - 14
SP  - 7947
EP  - 7957
DO  - 10.1016/j.ijhydene.2019.05.015
ER  - 
@article{
author = "Kurko, Sandra V. and Paskaš Mamula, Bojana and Rmuš, Jelena and Grbović-Novaković, Jasmina and Novaković, Nikola",
year = "2020",
abstract = "The impact of boron doping on MgH2 bonding mechanism, hydrogen diffusion and desorption was calculated using density functional theory (DFT). Atomic interactions in doped and non-doped system and its influence on hydrogen and vacancy diffusion were studied in bulk hydride. Slab calculations were performed to study hydrogen desorption energies from (110) boron doped surface and its dependence on the surface configuration and depth position. To study kinetics of hydrogen diffusion in boron vicinity and hydrogen molecule desorption activation energies from boron doped and non-doped (110) MgH2 surface Nudged Elastic Band (NEB) method was used. Results showed that boron forms stronger, covalent bonds with hydrogen causing the destabilization in its first and second coordination. This leads to lower hydrogen desorption energies and improved hydrogen diffusion, while the impact on the energy barriers for H2 desorption from hydride (110) surface is less pronounced. © 2019 Hydrogen Energy Publications LLC",
journal = "International Journal of Hydrogen Energy",
title = "DFT study of boron doped MgH2: Bonding mechanism, hydrogen diffusion and desorption",
volume = "45",
number = "14",
pages = "7947-7957",
doi = "10.1016/j.ijhydene.2019.05.015"
}
Kurko, S. V., Paskaš Mamula, B., Rmuš, J., Grbović-Novaković, J.,& Novaković, N.. (2020). DFT study of boron doped MgH2: Bonding mechanism, hydrogen diffusion and desorption. in International Journal of Hydrogen Energy, 45(14), 7947-7957.
https://doi.org/10.1016/j.ijhydene.2019.05.015
Kurko SV, Paskaš Mamula B, Rmuš J, Grbović-Novaković J, Novaković N. DFT study of boron doped MgH2: Bonding mechanism, hydrogen diffusion and desorption. in International Journal of Hydrogen Energy. 2020;45(14):7947-7957.
doi:10.1016/j.ijhydene.2019.05.015 .
Kurko, Sandra V., Paskaš Mamula, Bojana, Rmuš, Jelena, Grbović-Novaković, Jasmina, Novaković, Nikola, "DFT study of boron doped MgH2: Bonding mechanism, hydrogen diffusion and desorption" in International Journal of Hydrogen Energy, 45, no. 14 (2020):7947-7957,
https://doi.org/10.1016/j.ijhydene.2019.05.015 . .
11
10
11

The influence of mechanical milling parameters on hydrogen desorption from Mgh2-Wo3 composites

Pantić, Tijana; Milanović, Igor; Lukić, Miodrag; Grbović-Novaković, Jasmina; Kurko, Sandra V.; Biliškov, Nikola; Milošević Govedarović, Sanja S.

(2020)

TY  - JOUR
AU  - Pantić, Tijana
AU  - Milanović, Igor
AU  - Lukić, Miodrag
AU  - Grbović-Novaković, Jasmina
AU  - Kurko, Sandra V.
AU  - Biliškov, Nikola
AU  - Milošević Govedarović, Sanja S.
PY  - 2020
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/8568
AB  - The influence of different milling conditions obtained using two high-energy mills on hydrogen desorption from MgH2-WO3 composites was investigated. The morphology, particle and crystallite size were studied as a function of milling speed, vial's volume, and ball-to-powder ratio. The vial's fill level, the number, and type of milling balls and additive's content kept constant. Changes in morphology and microstructure were correlated to desorption properties of materials. Higher milling speed reduced particle size but, there is no significant crystallite size reduction. On the other hand, additive distribution is similar regardless of the energy input. It has been noticed that different energy input on milling blend, which is the result of combined effects of above-mentioned factors, reflects on desorption temperature but not on the kinetics of desorption. In fact, desorption mechanism changes from 2D to 3D growth with constant nucleation rate, despite obtained changes in microstructure or chemical composition of the material. © 2019 Hydrogen Energy Publications LLC
T2  - International Journal of Hydrogen Energy
T1  - The influence of mechanical milling parameters on hydrogen desorption from Mgh2-Wo3 composites
VL  - 45
IS  - 14
SP  - 7901
EP  - 7911
DO  - 10.1016/j.ijhydene.2019.07.167
ER  - 
@article{
author = "Pantić, Tijana and Milanović, Igor and Lukić, Miodrag and Grbović-Novaković, Jasmina and Kurko, Sandra V. and Biliškov, Nikola and Milošević Govedarović, Sanja S.",
year = "2020",
abstract = "The influence of different milling conditions obtained using two high-energy mills on hydrogen desorption from MgH2-WO3 composites was investigated. The morphology, particle and crystallite size were studied as a function of milling speed, vial's volume, and ball-to-powder ratio. The vial's fill level, the number, and type of milling balls and additive's content kept constant. Changes in morphology and microstructure were correlated to desorption properties of materials. Higher milling speed reduced particle size but, there is no significant crystallite size reduction. On the other hand, additive distribution is similar regardless of the energy input. It has been noticed that different energy input on milling blend, which is the result of combined effects of above-mentioned factors, reflects on desorption temperature but not on the kinetics of desorption. In fact, desorption mechanism changes from 2D to 3D growth with constant nucleation rate, despite obtained changes in microstructure or chemical composition of the material. © 2019 Hydrogen Energy Publications LLC",
journal = "International Journal of Hydrogen Energy",
title = "The influence of mechanical milling parameters on hydrogen desorption from Mgh2-Wo3 composites",
volume = "45",
number = "14",
pages = "7901-7911",
doi = "10.1016/j.ijhydene.2019.07.167"
}
Pantić, T., Milanović, I., Lukić, M., Grbović-Novaković, J., Kurko, S. V., Biliškov, N.,& Milošević Govedarović, S. S.. (2020). The influence of mechanical milling parameters on hydrogen desorption from Mgh2-Wo3 composites. in International Journal of Hydrogen Energy, 45(14), 7901-7911.
https://doi.org/10.1016/j.ijhydene.2019.07.167
Pantić T, Milanović I, Lukić M, Grbović-Novaković J, Kurko SV, Biliškov N, Milošević Govedarović SS. The influence of mechanical milling parameters on hydrogen desorption from Mgh2-Wo3 composites. in International Journal of Hydrogen Energy. 2020;45(14):7901-7911.
doi:10.1016/j.ijhydene.2019.07.167 .
Pantić, Tijana, Milanović, Igor, Lukić, Miodrag, Grbović-Novaković, Jasmina, Kurko, Sandra V., Biliškov, Nikola, Milošević Govedarović, Sanja S., "The influence of mechanical milling parameters on hydrogen desorption from Mgh2-Wo3 composites" in International Journal of Hydrogen Energy, 45, no. 14 (2020):7901-7911,
https://doi.org/10.1016/j.ijhydene.2019.07.167 . .
1
1
1

Preface: The 3rd International Symposium on Materials for Energy Storage and Conversion (mESC-IS2018)

Novaković, Nikola; Kurko, Sandra V.; Grbović-Novaković, Jasmina

(2020)

TY  - GEN
AU  - Novaković, Nikola
AU  - Kurko, Sandra V.
AU  - Grbović-Novaković, Jasmina
PY  - 2020
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8798
T2  - International Journal of Hydrogen Energy
T1  - Preface: The 3rd International Symposium on Materials for Energy Storage and Conversion (mESC-IS2018)
VL  - 45
IS  - 14
SP  - 7873
DO  - 10.1016/j.ijhydene.2019.12.047
ER  - 
@misc{
author = "Novaković, Nikola and Kurko, Sandra V. and Grbović-Novaković, Jasmina",
year = "2020",
journal = "International Journal of Hydrogen Energy",
title = "Preface: The 3rd International Symposium on Materials for Energy Storage and Conversion (mESC-IS2018)",
volume = "45",
number = "14",
pages = "7873",
doi = "10.1016/j.ijhydene.2019.12.047"
}
Novaković, N., Kurko, S. V.,& Grbović-Novaković, J.. (2020). Preface: The 3rd International Symposium on Materials for Energy Storage and Conversion (mESC-IS2018). in International Journal of Hydrogen Energy, 45(14), 7873.
https://doi.org/10.1016/j.ijhydene.2019.12.047
Novaković N, Kurko SV, Grbović-Novaković J. Preface: The 3rd International Symposium on Materials for Energy Storage and Conversion (mESC-IS2018). in International Journal of Hydrogen Energy. 2020;45(14):7873.
doi:10.1016/j.ijhydene.2019.12.047 .
Novaković, Nikola, Kurko, Sandra V., Grbović-Novaković, Jasmina, "Preface: The 3rd International Symposium on Materials for Energy Storage and Conversion (mESC-IS2018)" in International Journal of Hydrogen Energy, 45, no. 14 (2020):7873,
https://doi.org/10.1016/j.ijhydene.2019.12.047 . .

Influence of Defects on the Stability and Hydrogen‐Sorption Behavior of Mg‐Based Hydrides

Grbović-Novaković, Jasmina; Novaković, Nikola; Kurko, Sandra V.; Milošević Govedarović, Sanja S.; Pantić, Tijana; Paskaš Mamula, Bojana; Batalović, Katarina; Radaković, Jana; Rmuš, Jelena; Shelyapina, Marina; Skryabina, Nataliya; de Rango, Patricia; Fruchart, Daniel

(2019)

TY  - JOUR
AU  - Grbović-Novaković, Jasmina
AU  - Novaković, Nikola
AU  - Kurko, Sandra V.
AU  - Milošević Govedarović, Sanja S.
AU  - Pantić, Tijana
AU  - Paskaš Mamula, Bojana
AU  - Batalović, Katarina
AU  - Radaković, Jana
AU  - Rmuš, Jelena
AU  - Shelyapina, Marina
AU  - Skryabina, Nataliya
AU  - de Rango, Patricia
AU  - Fruchart, Daniel
PY  - 2019
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/8161
AB  - This review deals with the destabilization methods for improvement of storage properties of metal hydrides. Both theoretical and experimental approaches were used to point out the influence of various types of defects on structure and stability of hydrides. As a case study, Mg, and Ni based hydrides has been investigated. Theoretical studies, mainly carried out within various implementations of DFT, are a powerful tool to study mostly MgH 2 based materials. By providing an insight on metal-hydrogen bonding that governs both thermodynamics and hydrogen kinetics, they allow us to describe phenomena to which experimental methods have a limited access or do not have it at all: to follow the hydrogen sorption reaction on a specific metal surface and hydrogen induced phase transformations, to describe structure of phase boundaries or to explain the impact of defects or various additives on MgH 2 stability and hydrogen sorption kinetics. In several cases theoretical calculations reveal themselves as being able to predict new properties of materials, including the ways to modify Mg or MgH 2 that would lead to better characteristics in terms of hydrogen storage. The influence of ion irradiation and mechanical milling with and without additives has been discussed. Ion irradiation is the way to introduce a well-defined concentration of defects (Frankel pairs) at the surface and sub-surface layers of a material. Defects at the surface play the main role in sorption reaction since they enhance the dissociation of hydrogen. On the other hand, ball-milling introduce defects through the entire sample volume, refine the structure and thus decrease the path for hydrogen diffusion. Two Severe Plastic Deformation techniques were used to better understand the hydrogenation/dehydrogenation kinetics of Mg- and Mg 2 Ni-based alloys: Equal-Angular-Channel-Pressing and Fast-Forging. Successive ECAP passes leads to refinement of the microstructure of AZ31 ingots and to instalment therein of high densities of defects. Depending on mode, number and temperature of ECAP passes, the H-sorption kinetics have been improved satisfactorily without any additive for mass H-storage applications considering the relative speed of the shaping procedure. A qualitative understanding of the kinetic advanced principles has been built. Fast-Forging was used for a “quasi-instantaneous” synthesis of Mg/Mg 2 Ni-based composites. Hydrogenation of the as-received almost bi-phased materials remains rather slow as generally observed elsewhere, whatever are multiple and different techniques used to deliver the composite alloys. However, our preliminary results suggest that a synergic hydrogenation / dehydrogenation process should assist hydrogen transfers from Mg/Mg 2 Ni on one side to MgH 2 /Mg 2 NiH 4 on the other side via the rather stable a-Mg 2 NiH 0.3 , acting as in-situ catalyser. © 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
T2  - ChemPhysChem
T1  - Influence of Defects on the Stability and Hydrogen‐Sorption Behavior of Mg‐Based Hydrides
VL  - 20
IS  - 10
SP  - 1216
EP  - 1247
DO  - 10.1002/cphc.201801125
ER  - 
@article{
author = "Grbović-Novaković, Jasmina and Novaković, Nikola and Kurko, Sandra V. and Milošević Govedarović, Sanja S. and Pantić, Tijana and Paskaš Mamula, Bojana and Batalović, Katarina and Radaković, Jana and Rmuš, Jelena and Shelyapina, Marina and Skryabina, Nataliya and de Rango, Patricia and Fruchart, Daniel",
year = "2019",
abstract = "This review deals with the destabilization methods for improvement of storage properties of metal hydrides. Both theoretical and experimental approaches were used to point out the influence of various types of defects on structure and stability of hydrides. As a case study, Mg, and Ni based hydrides has been investigated. Theoretical studies, mainly carried out within various implementations of DFT, are a powerful tool to study mostly MgH 2 based materials. By providing an insight on metal-hydrogen bonding that governs both thermodynamics and hydrogen kinetics, they allow us to describe phenomena to which experimental methods have a limited access or do not have it at all: to follow the hydrogen sorption reaction on a specific metal surface and hydrogen induced phase transformations, to describe structure of phase boundaries or to explain the impact of defects or various additives on MgH 2 stability and hydrogen sorption kinetics. In several cases theoretical calculations reveal themselves as being able to predict new properties of materials, including the ways to modify Mg or MgH 2 that would lead to better characteristics in terms of hydrogen storage. The influence of ion irradiation and mechanical milling with and without additives has been discussed. Ion irradiation is the way to introduce a well-defined concentration of defects (Frankel pairs) at the surface and sub-surface layers of a material. Defects at the surface play the main role in sorption reaction since they enhance the dissociation of hydrogen. On the other hand, ball-milling introduce defects through the entire sample volume, refine the structure and thus decrease the path for hydrogen diffusion. Two Severe Plastic Deformation techniques were used to better understand the hydrogenation/dehydrogenation kinetics of Mg- and Mg 2 Ni-based alloys: Equal-Angular-Channel-Pressing and Fast-Forging. Successive ECAP passes leads to refinement of the microstructure of AZ31 ingots and to instalment therein of high densities of defects. Depending on mode, number and temperature of ECAP passes, the H-sorption kinetics have been improved satisfactorily without any additive for mass H-storage applications considering the relative speed of the shaping procedure. A qualitative understanding of the kinetic advanced principles has been built. Fast-Forging was used for a “quasi-instantaneous” synthesis of Mg/Mg 2 Ni-based composites. Hydrogenation of the as-received almost bi-phased materials remains rather slow as generally observed elsewhere, whatever are multiple and different techniques used to deliver the composite alloys. However, our preliminary results suggest that a synergic hydrogenation / dehydrogenation process should assist hydrogen transfers from Mg/Mg 2 Ni on one side to MgH 2 /Mg 2 NiH 4 on the other side via the rather stable a-Mg 2 NiH 0.3 , acting as in-situ catalyser. © 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim",
journal = "ChemPhysChem",
title = "Influence of Defects on the Stability and Hydrogen‐Sorption Behavior of Mg‐Based Hydrides",
volume = "20",
number = "10",
pages = "1216-1247",
doi = "10.1002/cphc.201801125"
}
Grbović-Novaković, J., Novaković, N., Kurko, S. V., Milošević Govedarović, S. S., Pantić, T., Paskaš Mamula, B., Batalović, K., Radaković, J., Rmuš, J., Shelyapina, M., Skryabina, N., de Rango, P.,& Fruchart, D.. (2019). Influence of Defects on the Stability and Hydrogen‐Sorption Behavior of Mg‐Based Hydrides. in ChemPhysChem, 20(10), 1216-1247.
https://doi.org/10.1002/cphc.201801125
Grbović-Novaković J, Novaković N, Kurko SV, Milošević Govedarović SS, Pantić T, Paskaš Mamula B, Batalović K, Radaković J, Rmuš J, Shelyapina M, Skryabina N, de Rango P, Fruchart D. Influence of Defects on the Stability and Hydrogen‐Sorption Behavior of Mg‐Based Hydrides. in ChemPhysChem. 2019;20(10):1216-1247.
doi:10.1002/cphc.201801125 .
Grbović-Novaković, Jasmina, Novaković, Nikola, Kurko, Sandra V., Milošević Govedarović, Sanja S., Pantić, Tijana, Paskaš Mamula, Bojana, Batalović, Katarina, Radaković, Jana, Rmuš, Jelena, Shelyapina, Marina, Skryabina, Nataliya, de Rango, Patricia, Fruchart, Daniel, "Influence of Defects on the Stability and Hydrogen‐Sorption Behavior of Mg‐Based Hydrides" in ChemPhysChem, 20, no. 10 (2019):1216-1247,
https://doi.org/10.1002/cphc.201801125 . .
1
6
6
6

Influence of Defects on the Stability and Hydrogen‐Sorption Behavior of Mg‐Based Hydrides

Grbović-Novaković, Jasmina; Novaković, Nikola; Kurko, Sandra V.; Milošević Govedarović, Sanja S.; Pantić, Tijana; Paskaš Mamula, Bojana; Batalović, Katarina; Radaković, Jana; Rmuš, Jelena; Shelyapina, Marina; Skryabina, Nataliya; de Rango, Patricia; Fruchart, Daniel

(2019)

TY  - JOUR
AU  - Grbović-Novaković, Jasmina
AU  - Novaković, Nikola
AU  - Kurko, Sandra V.
AU  - Milošević Govedarović, Sanja S.
AU  - Pantić, Tijana
AU  - Paskaš Mamula, Bojana
AU  - Batalović, Katarina
AU  - Radaković, Jana
AU  - Rmuš, Jelena
AU  - Shelyapina, Marina
AU  - Skryabina, Nataliya
AU  - de Rango, Patricia
AU  - Fruchart, Daniel
PY  - 2019
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/8169
AB  - This review deals with the destabilization methods for improvement of storage properties of metal hydrides. Both theoretical and experimental approaches were used to point out the influence of various types of defects on structure and stability of hydrides. As a case study, Mg, and Ni based hydrides has been investigated. Theoretical studies, mainly carried out within various implementations of DFT, are a powerful tool to study mostly MgH 2 based materials. By providing an insight on metal-hydrogen bonding that governs both thermodynamics and hydrogen kinetics, they allow us to describe phenomena to which experimental methods have a limited access or do not have it at all: to follow the hydrogen sorption reaction on a specific metal surface and hydrogen induced phase transformations, to describe structure of phase boundaries or to explain the impact of defects or various additives on MgH 2 stability and hydrogen sorption kinetics. In several cases theoretical calculations reveal themselves as being able to predict new properties of materials, including the ways to modify Mg or MgH 2 that would lead to better characteristics in terms of hydrogen storage. The influence of ion irradiation and mechanical milling with and without additives has been discussed. Ion irradiation is the way to introduce a well-defined concentration of defects (Frankel pairs) at the surface and sub-surface layers of a material. Defects at the surface play the main role in sorption reaction since they enhance the dissociation of hydrogen. On the other hand, ball-milling introduce defects through the entire sample volume, refine the structure and thus decrease the path for hydrogen diffusion. Two Severe Plastic Deformation techniques were used to better understand the hydrogenation/dehydrogenation kinetics of Mg- and Mg 2 Ni-based alloys: Equal-Angular-Channel-Pressing and Fast-Forging. Successive ECAP passes leads to refinement of the microstructure of AZ31 ingots and to instalment therein of high densities of defects. Depending on mode, number and temperature of ECAP passes, the H-sorption kinetics have been improved satisfactorily without any additive for mass H-storage applications considering the relative speed of the shaping procedure. A qualitative understanding of the kinetic advanced principles has been built. Fast-Forging was used for a “quasi-instantaneous” synthesis of Mg/Mg 2 Ni-based composites. Hydrogenation of the as-received almost bi-phased materials remains rather slow as generally observed elsewhere, whatever are multiple and different techniques used to deliver the composite alloys. However, our preliminary results suggest that a synergic hydrogenation / dehydrogenation process should assist hydrogen transfers from Mg/Mg 2 Ni on one side to MgH 2 /Mg 2 NiH 4 on the other side via the rather stable a-Mg 2 NiH 0.3 , acting as in-situ catalyser. © 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
T2  - ChemPhysChem
T1  - Influence of Defects on the Stability and Hydrogen‐Sorption Behavior of Mg‐Based Hydrides
VL  - 20
IS  - 10
SP  - 1216
EP  - 1247
DO  - 10.1002/cphc.201801125
ER  - 
@article{
author = "Grbović-Novaković, Jasmina and Novaković, Nikola and Kurko, Sandra V. and Milošević Govedarović, Sanja S. and Pantić, Tijana and Paskaš Mamula, Bojana and Batalović, Katarina and Radaković, Jana and Rmuš, Jelena and Shelyapina, Marina and Skryabina, Nataliya and de Rango, Patricia and Fruchart, Daniel",
year = "2019",
abstract = "This review deals with the destabilization methods for improvement of storage properties of metal hydrides. Both theoretical and experimental approaches were used to point out the influence of various types of defects on structure and stability of hydrides. As a case study, Mg, and Ni based hydrides has been investigated. Theoretical studies, mainly carried out within various implementations of DFT, are a powerful tool to study mostly MgH 2 based materials. By providing an insight on metal-hydrogen bonding that governs both thermodynamics and hydrogen kinetics, they allow us to describe phenomena to which experimental methods have a limited access or do not have it at all: to follow the hydrogen sorption reaction on a specific metal surface and hydrogen induced phase transformations, to describe structure of phase boundaries or to explain the impact of defects or various additives on MgH 2 stability and hydrogen sorption kinetics. In several cases theoretical calculations reveal themselves as being able to predict new properties of materials, including the ways to modify Mg or MgH 2 that would lead to better characteristics in terms of hydrogen storage. The influence of ion irradiation and mechanical milling with and without additives has been discussed. Ion irradiation is the way to introduce a well-defined concentration of defects (Frankel pairs) at the surface and sub-surface layers of a material. Defects at the surface play the main role in sorption reaction since they enhance the dissociation of hydrogen. On the other hand, ball-milling introduce defects through the entire sample volume, refine the structure and thus decrease the path for hydrogen diffusion. Two Severe Plastic Deformation techniques were used to better understand the hydrogenation/dehydrogenation kinetics of Mg- and Mg 2 Ni-based alloys: Equal-Angular-Channel-Pressing and Fast-Forging. Successive ECAP passes leads to refinement of the microstructure of AZ31 ingots and to instalment therein of high densities of defects. Depending on mode, number and temperature of ECAP passes, the H-sorption kinetics have been improved satisfactorily without any additive for mass H-storage applications considering the relative speed of the shaping procedure. A qualitative understanding of the kinetic advanced principles has been built. Fast-Forging was used for a “quasi-instantaneous” synthesis of Mg/Mg 2 Ni-based composites. Hydrogenation of the as-received almost bi-phased materials remains rather slow as generally observed elsewhere, whatever are multiple and different techniques used to deliver the composite alloys. However, our preliminary results suggest that a synergic hydrogenation / dehydrogenation process should assist hydrogen transfers from Mg/Mg 2 Ni on one side to MgH 2 /Mg 2 NiH 4 on the other side via the rather stable a-Mg 2 NiH 0.3 , acting as in-situ catalyser. © 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim",
journal = "ChemPhysChem",
title = "Influence of Defects on the Stability and Hydrogen‐Sorption Behavior of Mg‐Based Hydrides",
volume = "20",
number = "10",
pages = "1216-1247",
doi = "10.1002/cphc.201801125"
}
Grbović-Novaković, J., Novaković, N., Kurko, S. V., Milošević Govedarović, S. S., Pantić, T., Paskaš Mamula, B., Batalović, K., Radaković, J., Rmuš, J., Shelyapina, M., Skryabina, N., de Rango, P.,& Fruchart, D.. (2019). Influence of Defects on the Stability and Hydrogen‐Sorption Behavior of Mg‐Based Hydrides. in ChemPhysChem, 20(10), 1216-1247.
https://doi.org/10.1002/cphc.201801125
Grbović-Novaković J, Novaković N, Kurko SV, Milošević Govedarović SS, Pantić T, Paskaš Mamula B, Batalović K, Radaković J, Rmuš J, Shelyapina M, Skryabina N, de Rango P, Fruchart D. Influence of Defects on the Stability and Hydrogen‐Sorption Behavior of Mg‐Based Hydrides. in ChemPhysChem. 2019;20(10):1216-1247.
doi:10.1002/cphc.201801125 .
Grbović-Novaković, Jasmina, Novaković, Nikola, Kurko, Sandra V., Milošević Govedarović, Sanja S., Pantić, Tijana, Paskaš Mamula, Bojana, Batalović, Katarina, Radaković, Jana, Rmuš, Jelena, Shelyapina, Marina, Skryabina, Nataliya, de Rango, Patricia, Fruchart, Daniel, "Influence of Defects on the Stability and Hydrogen‐Sorption Behavior of Mg‐Based Hydrides" in ChemPhysChem, 20, no. 10 (2019):1216-1247,
https://doi.org/10.1002/cphc.201801125 . .
1
6
6
6

In-situ desorption of magnesium hydride irradiated and non-irradiated thin films: Relation to optical properties

Rašković-Lovre, Željka; Kurko, Sandra V.; Ivanović, Nenad; Fernandez, Jose Francisco; Ares, Jose-Ramon; Sturm, Saso; Mongstad, Trygve; Novaković, Nikola; Grbović-Novaković, Jasmina

(2017)

TY  - JOUR
AU  - Rašković-Lovre, Željka
AU  - Kurko, Sandra V.
AU  - Ivanović, Nenad
AU  - Fernandez, Jose Francisco
AU  - Ares, Jose-Ramon
AU  - Sturm, Saso
AU  - Mongstad, Trygve
AU  - Novaković, Nikola
AU  - Grbović-Novaković, Jasmina
PY  - 2017
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/1381
AB  - Processes taking place during hydrogen desorption from MgH2 thin films were investigated in as-prepared samples and samples modified by argon ion irradiation. Irradiation was used to produce well-defined defects with depth distribution. It was shown that the size, shape, and concentration of Mg nuclei formed during hydrogen desorption from MgH2 thin films depend on the characteristics and distribution of the induced defects. In as-prepared samples the shape of Mg nuclei is spherical, while in irradiated samples, it is highly irregular. Variations in sample colour were observed during hydrogen desorption and before the creation of Mg nuclei. DFT calculations showed that the observed variations in the optical properties of samples can be explained by changes in MgH2 electronic structure -the appearance of an H-vacancy band within the MgH2 energy gap. (C) 2016 Elsevier B.V. All rights reserved.
T2  - Journal of Alloys and Compounds
T1  - In-situ desorption of magnesium hydride irradiated and non-irradiated thin films: Relation to optical properties
VL  - 695
SP  - 2381
EP  - 2388
DO  - 10.1016/j.jallcom.2016.11.128
ER  - 
@article{
author = "Rašković-Lovre, Željka and Kurko, Sandra V. and Ivanović, Nenad and Fernandez, Jose Francisco and Ares, Jose-Ramon and Sturm, Saso and Mongstad, Trygve and Novaković, Nikola and Grbović-Novaković, Jasmina",
year = "2017",
abstract = "Processes taking place during hydrogen desorption from MgH2 thin films were investigated in as-prepared samples and samples modified by argon ion irradiation. Irradiation was used to produce well-defined defects with depth distribution. It was shown that the size, shape, and concentration of Mg nuclei formed during hydrogen desorption from MgH2 thin films depend on the characteristics and distribution of the induced defects. In as-prepared samples the shape of Mg nuclei is spherical, while in irradiated samples, it is highly irregular. Variations in sample colour were observed during hydrogen desorption and before the creation of Mg nuclei. DFT calculations showed that the observed variations in the optical properties of samples can be explained by changes in MgH2 electronic structure -the appearance of an H-vacancy band within the MgH2 energy gap. (C) 2016 Elsevier B.V. All rights reserved.",
journal = "Journal of Alloys and Compounds",
title = "In-situ desorption of magnesium hydride irradiated and non-irradiated thin films: Relation to optical properties",
volume = "695",
pages = "2381-2388",
doi = "10.1016/j.jallcom.2016.11.128"
}
Rašković-Lovre, Ž., Kurko, S. V., Ivanović, N., Fernandez, J. F., Ares, J., Sturm, S., Mongstad, T., Novaković, N.,& Grbović-Novaković, J.. (2017). In-situ desorption of magnesium hydride irradiated and non-irradiated thin films: Relation to optical properties. in Journal of Alloys and Compounds, 695, 2381-2388.
https://doi.org/10.1016/j.jallcom.2016.11.128
Rašković-Lovre Ž, Kurko SV, Ivanović N, Fernandez JF, Ares J, Sturm S, Mongstad T, Novaković N, Grbović-Novaković J. In-situ desorption of magnesium hydride irradiated and non-irradiated thin films: Relation to optical properties. in Journal of Alloys and Compounds. 2017;695:2381-2388.
doi:10.1016/j.jallcom.2016.11.128 .
Rašković-Lovre, Željka, Kurko, Sandra V., Ivanović, Nenad, Fernandez, Jose Francisco, Ares, Jose-Ramon, Sturm, Saso, Mongstad, Trygve, Novaković, Nikola, Grbović-Novaković, Jasmina, "In-situ desorption of magnesium hydride irradiated and non-irradiated thin films: Relation to optical properties" in Journal of Alloys and Compounds, 695 (2017):2381-2388,
https://doi.org/10.1016/j.jallcom.2016.11.128 . .
5
4
5

Is WO3 catalyst for hydrogen desorption?

Marković, Smilja; Pantić, Tijana; Milanović, Igor; Lukić, Miodrag; Grbović-Novaković, Jasmina; Kurko, Sandra V.; Biliškov, Nikola; Milošević, Sanja S.

(Belgrade : Institute of Technical Sciences of SASA, 2017)

TY  - CONF
AU  - Pantić, Tijana
AU  - Milanović, Igor
AU  - Lukić, Miodrag
AU  - Grbović-Novaković, Jasmina
AU  - Kurko, Sandra V.
AU  - Biliškov, Nikola
AU  - Milošević, Sanja S.
PY  - 2017
UR  - http://itn.sanu.ac.rs/opus4/frontdoor/index/index/docId/1220
UR  - http://itn.sanu.ac.rs/opus4/files/1220/Pantic_16YRC2017.pdf
UR  - http://dais.sanu.ac.rs/123456789/15451
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/7559
AB  - Magnesium hydride, as hydrogen storage material, meets the requirements such as high gravimetric hydrogen capacity (7,6 wt%), low cost and weight, abundance and H2 absorption/desorption cycling possibility. Given that the oxide additives show the good impact on desorption properties, mechanical milling of MgH2 with addition of 5, 10 and 15% wt. WO3 was performed. The microstructure and morphology of composites were analysed by XRD, PSD and SEM and correlated to hydrogen desorption properties which have been investigated by DSC. The results have shown that WO3 has a positive effect on the desorption kinetics as well as on the change of the desorption mechanism.
PB  - Belgrade : Institute of Technical Sciences of SASA
C3  - Program and the Book of Abstracts / Sixteenth Young Researchers' Conference Materials Sciences and Engineering, December 6-8, 2017, Belgrade, Serbia
T1  - Is WO3 catalyst for hydrogen desorption?
SP  - 50
EP  - 50
ER  - 
@conference{
editor = "Marković, Smilja",
author = "Pantić, Tijana and Milanović, Igor and Lukić, Miodrag and Grbović-Novaković, Jasmina and Kurko, Sandra V. and Biliškov, Nikola and Milošević, Sanja S.",
year = "2017",
abstract = "Magnesium hydride, as hydrogen storage material, meets the requirements such as high gravimetric hydrogen capacity (7,6 wt%), low cost and weight, abundance and H2 absorption/desorption cycling possibility. Given that the oxide additives show the good impact on desorption properties, mechanical milling of MgH2 with addition of 5, 10 and 15% wt. WO3 was performed. The microstructure and morphology of composites were analysed by XRD, PSD and SEM and correlated to hydrogen desorption properties which have been investigated by DSC. The results have shown that WO3 has a positive effect on the desorption kinetics as well as on the change of the desorption mechanism.",
publisher = "Belgrade : Institute of Technical Sciences of SASA",
journal = "Program and the Book of Abstracts / Sixteenth Young Researchers' Conference Materials Sciences and Engineering, December 6-8, 2017, Belgrade, Serbia",
title = "Is WO3 catalyst for hydrogen desorption?",
pages = "50-50"
}
Marković, S., Pantić, T., Milanović, I., Lukić, M., Grbović-Novaković, J., Kurko, S. V., Biliškov, N.,& Milošević, S. S.. (2017). Is WO3 catalyst for hydrogen desorption?. in Program and the Book of Abstracts / Sixteenth Young Researchers' Conference Materials Sciences and Engineering, December 6-8, 2017, Belgrade, Serbia
Belgrade : Institute of Technical Sciences of SASA., 50-50.
Marković S, Pantić T, Milanović I, Lukić M, Grbović-Novaković J, Kurko SV, Biliškov N, Milošević SS. Is WO3 catalyst for hydrogen desorption?. in Program and the Book of Abstracts / Sixteenth Young Researchers' Conference Materials Sciences and Engineering, December 6-8, 2017, Belgrade, Serbia. 2017;:50-50..
Marković, Smilja, Pantić, Tijana, Milanović, Igor, Lukić, Miodrag, Grbović-Novaković, Jasmina, Kurko, Sandra V., Biliškov, Nikola, Milošević, Sanja S., "Is WO3 catalyst for hydrogen desorption?" in Program and the Book of Abstracts / Sixteenth Young Researchers' Conference Materials Sciences and Engineering, December 6-8, 2017, Belgrade, Serbia (2017):50-50.

Ab-initio study of hydrogen mobility in the vicinity of MgH2-Mg interface: The role of Ti and TiO2

Vujasin, Radojka; Grbović-Novaković, Jasmina; Novaković, Nikola; Giusepponi, Simone; Celino, Massimo

(2017)

TY  - JOUR
AU  - Vujasin, Radojka
AU  - Grbović-Novaković, Jasmina
AU  - Novaković, Nikola
AU  - Giusepponi, Simone
AU  - Celino, Massimo
PY  - 2017
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/1382
AB  - Doping of MgH2 with transition metals and their oxides is well-known procedure to improve its hydrogen (de) sorption properties, namely to lower the temperature of desorption and to achieve the kinetics speedup. In order to assess the influence Ti and TiO2 doping has on H mobility and to characterize structurally and electronically observed differences, MgH2-Mg interface doped with both Ti and TiO2 have been studied using ab-initio interface molecular dynamics and bulk calculations. Results suggest different mechanisms of MgH2 structure destabilization. The presence of dopants significantly stabilize MgH2-Mg interface, which is confirmed by work of adhesion computation. Calculated formation energies show that interface system with doped TiO2 is more stable. In terms of H mobility, molecular dynamics simulations confirm that Ti doping is more effective than TiO2 in lowering the desorption temperature. The mobility of hydrogen atoms close to dopant is much higher in the case of Ti than in the case of TiO2. Electronic structure characterization reveals that oxygen atoms with high electron affinity forms more pronounced ionic bonding with Ti and the other neighbor Mg atoms. This in turn cause a shorter Ti-H bonds in first coordination than in the case of Ti doping and further reduction of H atoms mobility. This is in accordance with molecular dynamics predictions. (C) 2016 Elsevier B.V. All rights reserved.
T2  - Journal of Alloys and Compounds
T1  - Ab-initio study of hydrogen mobility in the vicinity of MgH2-Mg interface: The role of Ti and TiO2
VL  - 696
SP  - 548
EP  - 559
DO  - 10.1016/j.jallcom.2016.11.250
ER  - 
@article{
author = "Vujasin, Radojka and Grbović-Novaković, Jasmina and Novaković, Nikola and Giusepponi, Simone and Celino, Massimo",
year = "2017",
abstract = "Doping of MgH2 with transition metals and their oxides is well-known procedure to improve its hydrogen (de) sorption properties, namely to lower the temperature of desorption and to achieve the kinetics speedup. In order to assess the influence Ti and TiO2 doping has on H mobility and to characterize structurally and electronically observed differences, MgH2-Mg interface doped with both Ti and TiO2 have been studied using ab-initio interface molecular dynamics and bulk calculations. Results suggest different mechanisms of MgH2 structure destabilization. The presence of dopants significantly stabilize MgH2-Mg interface, which is confirmed by work of adhesion computation. Calculated formation energies show that interface system with doped TiO2 is more stable. In terms of H mobility, molecular dynamics simulations confirm that Ti doping is more effective than TiO2 in lowering the desorption temperature. The mobility of hydrogen atoms close to dopant is much higher in the case of Ti than in the case of TiO2. Electronic structure characterization reveals that oxygen atoms with high electron affinity forms more pronounced ionic bonding with Ti and the other neighbor Mg atoms. This in turn cause a shorter Ti-H bonds in first coordination than in the case of Ti doping and further reduction of H atoms mobility. This is in accordance with molecular dynamics predictions. (C) 2016 Elsevier B.V. All rights reserved.",
journal = "Journal of Alloys and Compounds",
title = "Ab-initio study of hydrogen mobility in the vicinity of MgH2-Mg interface: The role of Ti and TiO2",
volume = "696",
pages = "548-559",
doi = "10.1016/j.jallcom.2016.11.250"
}
Vujasin, R., Grbović-Novaković, J., Novaković, N., Giusepponi, S.,& Celino, M.. (2017). Ab-initio study of hydrogen mobility in the vicinity of MgH2-Mg interface: The role of Ti and TiO2. in Journal of Alloys and Compounds, 696, 548-559.
https://doi.org/10.1016/j.jallcom.2016.11.250
Vujasin R, Grbović-Novaković J, Novaković N, Giusepponi S, Celino M. Ab-initio study of hydrogen mobility in the vicinity of MgH2-Mg interface: The role of Ti and TiO2. in Journal of Alloys and Compounds. 2017;696:548-559.
doi:10.1016/j.jallcom.2016.11.250 .
Vujasin, Radojka, Grbović-Novaković, Jasmina, Novaković, Nikola, Giusepponi, Simone, Celino, Massimo, "Ab-initio study of hydrogen mobility in the vicinity of MgH2-Mg interface: The role of Ti and TiO2" in Journal of Alloys and Compounds, 696 (2017):548-559,
https://doi.org/10.1016/j.jallcom.2016.11.250 . .
5
5
5

In-Situ and Real-time Monitoring of Mechanochemical Preparation of Li2Mg(NH2BH3)(4) and Na2Mg(NH2BH3)(4) and Their Thermal Dehydrogenation

Biliskov, Nikola; Borgschulte, Andreas; Uzarevic, Krunoslav; Halasz, Ivan; Lukin, Stipe; Milošević, Sanja S.; Milanović, Igor; Grbović-Novaković, Jasmina

(2017)

TY  - JOUR
AU  - Biliskov, Nikola
AU  - Borgschulte, Andreas
AU  - Uzarevic, Krunoslav
AU  - Halasz, Ivan
AU  - Lukin, Stipe
AU  - Milošević, Sanja S.
AU  - Milanović, Igor
AU  - Grbović-Novaković, Jasmina
PY  - 2017
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/1870
AB  - For the first time, in situ monitoring of uninterrupted mechanochemical synthesis of two bimetallic amidoboranes, M2Mg(NH2BH3)(4) (M=Li, Na), by means of Raman spectroscopy, has been applied. This approach allowed real-time observation of key intermediate phases, and a straightforward follow-up of the reaction course. Detailed analysis of time-dependent spectra revealed a two-step mechanism through MNH2BH3 center dot NH3BH3 adducts as key intermediate phases which further reacted with MgH2, giving M2Mg(NH2BH3)(4) as final products. The intermediates partially take a competitive pathway toward the oligomeric M(BH3NH2BH2NH2BH3) phases. The crystal structure of the novel bimetallic amidoborane Li2Mg(NH2BH3)(4) was solved from high-resolution powder diffraction data and showed an analogous metal coordination to Na2Mg(NH2BH3)(4), but a significantly different crystal packing. Li2Mg(NH2BH3)(4) thermally dehydrogenates releasing highly pure H-2 in the amount of 7 wt.%, and at a lower temperature then its sodium analogue, making it significantly more viable for practical applications.
T2  - Chemistry. A European Journal
T1  - In-Situ and Real-time Monitoring of Mechanochemical Preparation of Li2Mg(NH2BH3)(4) and Na2Mg(NH2BH3)(4) and Their Thermal Dehydrogenation
VL  - 23
IS  - 64
SP  - 16274
EP  - 16282
DO  - 10.1002/chem.201702665
ER  - 
@article{
author = "Biliskov, Nikola and Borgschulte, Andreas and Uzarevic, Krunoslav and Halasz, Ivan and Lukin, Stipe and Milošević, Sanja S. and Milanović, Igor and Grbović-Novaković, Jasmina",
year = "2017",
abstract = "For the first time, in situ monitoring of uninterrupted mechanochemical synthesis of two bimetallic amidoboranes, M2Mg(NH2BH3)(4) (M=Li, Na), by means of Raman spectroscopy, has been applied. This approach allowed real-time observation of key intermediate phases, and a straightforward follow-up of the reaction course. Detailed analysis of time-dependent spectra revealed a two-step mechanism through MNH2BH3 center dot NH3BH3 adducts as key intermediate phases which further reacted with MgH2, giving M2Mg(NH2BH3)(4) as final products. The intermediates partially take a competitive pathway toward the oligomeric M(BH3NH2BH2NH2BH3) phases. The crystal structure of the novel bimetallic amidoborane Li2Mg(NH2BH3)(4) was solved from high-resolution powder diffraction data and showed an analogous metal coordination to Na2Mg(NH2BH3)(4), but a significantly different crystal packing. Li2Mg(NH2BH3)(4) thermally dehydrogenates releasing highly pure H-2 in the amount of 7 wt.%, and at a lower temperature then its sodium analogue, making it significantly more viable for practical applications.",
journal = "Chemistry. A European Journal",
title = "In-Situ and Real-time Monitoring of Mechanochemical Preparation of Li2Mg(NH2BH3)(4) and Na2Mg(NH2BH3)(4) and Their Thermal Dehydrogenation",
volume = "23",
number = "64",
pages = "16274-16282",
doi = "10.1002/chem.201702665"
}
Biliskov, N., Borgschulte, A., Uzarevic, K., Halasz, I., Lukin, S., Milošević, S. S., Milanović, I.,& Grbović-Novaković, J.. (2017). In-Situ and Real-time Monitoring of Mechanochemical Preparation of Li2Mg(NH2BH3)(4) and Na2Mg(NH2BH3)(4) and Their Thermal Dehydrogenation. in Chemistry. A European Journal, 23(64), 16274-16282.
https://doi.org/10.1002/chem.201702665
Biliskov N, Borgschulte A, Uzarevic K, Halasz I, Lukin S, Milošević SS, Milanović I, Grbović-Novaković J. In-Situ and Real-time Monitoring of Mechanochemical Preparation of Li2Mg(NH2BH3)(4) and Na2Mg(NH2BH3)(4) and Their Thermal Dehydrogenation. in Chemistry. A European Journal. 2017;23(64):16274-16282.
doi:10.1002/chem.201702665 .
Biliskov, Nikola, Borgschulte, Andreas, Uzarevic, Krunoslav, Halasz, Ivan, Lukin, Stipe, Milošević, Sanja S., Milanović, Igor, Grbović-Novaković, Jasmina, "In-Situ and Real-time Monitoring of Mechanochemical Preparation of Li2Mg(NH2BH3)(4) and Na2Mg(NH2BH3)(4) and Their Thermal Dehydrogenation" in Chemistry. A European Journal, 23, no. 64 (2017):16274-16282,
https://doi.org/10.1002/chem.201702665 . .
1
12
12
12

Fast hydrogen sorption from MgH2-VO2(B) composite materials

Milošević, Sanja S.; Kurko, Sandra V.; Pasquini, Luca; Matović, Ljiljana; Vujasin, Radojka; Novaković, Nikola; Grbović-Novaković, Jasmina

(2016)

TY  - JOUR
AU  - Milošević, Sanja S.
AU  - Kurko, Sandra V.
AU  - Pasquini, Luca
AU  - Matović, Ljiljana
AU  - Vujasin, Radojka
AU  - Novaković, Nikola
AU  - Grbović-Novaković, Jasmina
PY  - 2016
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/274
AB  - The hydrogen sorption kinetics of MgH2-VO2(B) composites synthesised by mechanical milling have been studied. The microstructural properties of composites were characterized by means of X-ray diffraction (XRD), Raman spectroscopy, Scanning electron microscopy (SEM), Particle size analysis (PSD), while sorption behaviour was followed by differential scanning calorimetry (DSC) and Sievert measurements. Results have shown that although desorption temperature reduction is moderate; there is a substantial improvement in hydrogen sorption kinetics. The complete desorption of pure MgH2 at elevated temperature takes place in more than 30 min while the composite fully desorbs in less than 2 min even at lower temperatures. It has been shown that the metastable gamma-MgH2 phase and the point defects have a decisive role in desorption process only in the first sorption cycle, while the second and the subsequent sorption cycles are affected by microstructural and morphological characteristics of the composite. (C) 2015 Elsevier B.V. All rights reserved.
T2  - Journal of Power Sources
T1  - Fast hydrogen sorption from MgH2-VO2(B) composite materials
VL  - 307
SP  - 481
EP  - 488
DO  - 10.1016/j.jpowsour.2015.12.108
ER  - 
@article{
author = "Milošević, Sanja S. and Kurko, Sandra V. and Pasquini, Luca and Matović, Ljiljana and Vujasin, Radojka and Novaković, Nikola and Grbović-Novaković, Jasmina",
year = "2016",
abstract = "The hydrogen sorption kinetics of MgH2-VO2(B) composites synthesised by mechanical milling have been studied. The microstructural properties of composites were characterized by means of X-ray diffraction (XRD), Raman spectroscopy, Scanning electron microscopy (SEM), Particle size analysis (PSD), while sorption behaviour was followed by differential scanning calorimetry (DSC) and Sievert measurements. Results have shown that although desorption temperature reduction is moderate; there is a substantial improvement in hydrogen sorption kinetics. The complete desorption of pure MgH2 at elevated temperature takes place in more than 30 min while the composite fully desorbs in less than 2 min even at lower temperatures. It has been shown that the metastable gamma-MgH2 phase and the point defects have a decisive role in desorption process only in the first sorption cycle, while the second and the subsequent sorption cycles are affected by microstructural and morphological characteristics of the composite. (C) 2015 Elsevier B.V. All rights reserved.",
journal = "Journal of Power Sources",
title = "Fast hydrogen sorption from MgH2-VO2(B) composite materials",
volume = "307",
pages = "481-488",
doi = "10.1016/j.jpowsour.2015.12.108"
}
Milošević, S. S., Kurko, S. V., Pasquini, L., Matović, L., Vujasin, R., Novaković, N.,& Grbović-Novaković, J.. (2016). Fast hydrogen sorption from MgH2-VO2(B) composite materials. in Journal of Power Sources, 307, 481-488.
https://doi.org/10.1016/j.jpowsour.2015.12.108
Milošević SS, Kurko SV, Pasquini L, Matović L, Vujasin R, Novaković N, Grbović-Novaković J. Fast hydrogen sorption from MgH2-VO2(B) composite materials. in Journal of Power Sources. 2016;307:481-488.
doi:10.1016/j.jpowsour.2015.12.108 .
Milošević, Sanja S., Kurko, Sandra V., Pasquini, Luca, Matović, Ljiljana, Vujasin, Radojka, Novaković, Nikola, Grbović-Novaković, Jasmina, "Fast hydrogen sorption from MgH2-VO2(B) composite materials" in Journal of Power Sources, 307 (2016):481-488,
https://doi.org/10.1016/j.jpowsour.2015.12.108 . .
50
51
51

Catalytic activity of titania polymorphs towards desorption reaction of MgH2

Vujasin, Radojka; Mraković, Ana Đ.; Kurko, Sandra V.; Novaković, Nikola; Matović, Ljiljana; Grbović-Novaković, Jasmina; Milošević, Sanja S.

(Elsevier, 2016)

TY  - JOUR
AU  - Vujasin, Radojka
AU  - Mraković, Ana Đ.
AU  - Kurko, Sandra V.
AU  - Novaković, Nikola
AU  - Matović, Ljiljana
AU  - Grbović-Novaković, Jasmina
AU  - Milošević, Sanja S.
PY  - 2016
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/978
AB  - Hydrogen desorption properties of MgH2 ball milled with two different TiO2 polymorphs, rutile and anatase, were studied. Structural characterization has been done by X-ray diffraction (XRD) analysis, particle size analysis (PSD) and scanning electron microscopy (SEM). The mechanism of desorption and the apparent activation energy for desorption were investigated by applying isoconversional kinetic analysis of DTA spectra, while desorbed species were followed by TPD coupled with mass spectroscopy. It has been demonstrate that the addition of rutile TiO2 significantly decrease the apparent activation energy for desorption (E-des(a)), while addition of anatase titania has negligible influence on E-des(a). Such behaviour could be explained in terms of the same crystal structure of rutile TiO2 and MgH2. Further, the mechanism of desorption changes from Avrami-Erofeev n = 3 for pure MgH2 to Avrami Erofeev n = 4 for composite materials. Copyright (c) 2016, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
PB  - Elsevier
T2  - International Journal of Hydrogen Energy
T1  - Catalytic activity of titania polymorphs towards desorption reaction of MgH2
VL  - 41
IS  - 8
SP  - 4703
EP  - 4711
DO  - 10.1016/j.ijhydene.2016.01.095
ER  - 
@article{
author = "Vujasin, Radojka and Mraković, Ana Đ. and Kurko, Sandra V. and Novaković, Nikola and Matović, Ljiljana and Grbović-Novaković, Jasmina and Milošević, Sanja S.",
year = "2016",
abstract = "Hydrogen desorption properties of MgH2 ball milled with two different TiO2 polymorphs, rutile and anatase, were studied. Structural characterization has been done by X-ray diffraction (XRD) analysis, particle size analysis (PSD) and scanning electron microscopy (SEM). The mechanism of desorption and the apparent activation energy for desorption were investigated by applying isoconversional kinetic analysis of DTA spectra, while desorbed species were followed by TPD coupled with mass spectroscopy. It has been demonstrate that the addition of rutile TiO2 significantly decrease the apparent activation energy for desorption (E-des(a)), while addition of anatase titania has negligible influence on E-des(a). Such behaviour could be explained in terms of the same crystal structure of rutile TiO2 and MgH2. Further, the mechanism of desorption changes from Avrami-Erofeev n = 3 for pure MgH2 to Avrami Erofeev n = 4 for composite materials. Copyright (c) 2016, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.",
publisher = "Elsevier",
journal = "International Journal of Hydrogen Energy",
title = "Catalytic activity of titania polymorphs towards desorption reaction of MgH2",
volume = "41",
number = "8",
pages = "4703-4711",
doi = "10.1016/j.ijhydene.2016.01.095"
}
Vujasin, R., Mraković, A. Đ., Kurko, S. V., Novaković, N., Matović, L., Grbović-Novaković, J.,& Milošević, S. S.. (2016). Catalytic activity of titania polymorphs towards desorption reaction of MgH2. in International Journal of Hydrogen Energy
Elsevier., 41(8), 4703-4711.
https://doi.org/10.1016/j.ijhydene.2016.01.095
Vujasin R, Mraković AĐ, Kurko SV, Novaković N, Matović L, Grbović-Novaković J, Milošević SS. Catalytic activity of titania polymorphs towards desorption reaction of MgH2. in International Journal of Hydrogen Energy. 2016;41(8):4703-4711.
doi:10.1016/j.ijhydene.2016.01.095 .
Vujasin, Radojka, Mraković, Ana Đ., Kurko, Sandra V., Novaković, Nikola, Matović, Ljiljana, Grbović-Novaković, Jasmina, Milošević, Sanja S., "Catalytic activity of titania polymorphs towards desorption reaction of MgH2" in International Journal of Hydrogen Energy, 41, no. 8 (2016):4703-4711,
https://doi.org/10.1016/j.ijhydene.2016.01.095 . .
8
8
8

Abrasive wear behaviour of ADI material with various retained austenite content

Balos, S.; Rajnovic, D.; Dramićanin, Miroslav; Labus, D.; Erić-Cekić, Olivera; Grbović-Novaković, Jasmina; Sidjanin, L.

(2016)

TY  - JOUR
AU  - Balos, S.
AU  - Rajnovic, D.
AU  - Dramićanin, Miroslav
AU  - Labus, D.
AU  - Erić-Cekić, Olivera
AU  - Grbović-Novaković, Jasmina
AU  - Sidjanin, L.
PY  - 2016
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/1128
AB  - In this paper, the wear rate of ferritic and pearlitic ductile iron, as well as three types of austempered ductile iron (ADI materials), austempered at 300, 350 and 400 degrees C is investigated. Two wear parameters were varied, wear load (0.5, 1.3, 2 kg) and grit paper abrasive grain size (P240, P500, P800). The hardness of ductile iron and stress-assisted phase transformation of retained austenite into martensite (SATRAM) phenomenon in ADI materials were found to play major roles in wear behaviour. The pronounced SATRAM phenomenon was detected for the most severe wear parameters. Another important factor in the occurrence of SATRAM phenomenon is the presence of metastable, low carbon-enriched retained austenite. As a consequence, the wear rate of ADI austempered at 400 degrees C is nearly equivalent to ADI austempered at 300 degrees C at medium and high loading with the coarsest abrasive paper grit tested (P240).
T2  - International Journal of Cast Metals Research
T1  - Abrasive wear behaviour of ADI material with various retained austenite content
VL  - 29
IS  - 4
SP  - 187
EP  - 193
DO  - 10.1179/1743133613Y.1125982
ER  - 
@article{
author = "Balos, S. and Rajnovic, D. and Dramićanin, Miroslav and Labus, D. and Erić-Cekić, Olivera and Grbović-Novaković, Jasmina and Sidjanin, L.",
year = "2016",
abstract = "In this paper, the wear rate of ferritic and pearlitic ductile iron, as well as three types of austempered ductile iron (ADI materials), austempered at 300, 350 and 400 degrees C is investigated. Two wear parameters were varied, wear load (0.5, 1.3, 2 kg) and grit paper abrasive grain size (P240, P500, P800). The hardness of ductile iron and stress-assisted phase transformation of retained austenite into martensite (SATRAM) phenomenon in ADI materials were found to play major roles in wear behaviour. The pronounced SATRAM phenomenon was detected for the most severe wear parameters. Another important factor in the occurrence of SATRAM phenomenon is the presence of metastable, low carbon-enriched retained austenite. As a consequence, the wear rate of ADI austempered at 400 degrees C is nearly equivalent to ADI austempered at 300 degrees C at medium and high loading with the coarsest abrasive paper grit tested (P240).",
journal = "International Journal of Cast Metals Research",
title = "Abrasive wear behaviour of ADI material with various retained austenite content",
volume = "29",
number = "4",
pages = "187-193",
doi = "10.1179/1743133613Y.1125982"
}
Balos, S., Rajnovic, D., Dramićanin, M., Labus, D., Erić-Cekić, O., Grbović-Novaković, J.,& Sidjanin, L.. (2016). Abrasive wear behaviour of ADI material with various retained austenite content. in International Journal of Cast Metals Research, 29(4), 187-193.
https://doi.org/10.1179/1743133613Y.1125982
Balos S, Rajnovic D, Dramićanin M, Labus D, Erić-Cekić O, Grbović-Novaković J, Sidjanin L. Abrasive wear behaviour of ADI material with various retained austenite content. in International Journal of Cast Metals Research. 2016;29(4):187-193.
doi:10.1179/1743133613Y.1125982 .
Balos, S., Rajnovic, D., Dramićanin, Miroslav, Labus, D., Erić-Cekić, Olivera, Grbović-Novaković, Jasmina, Sidjanin, L., "Abrasive wear behaviour of ADI material with various retained austenite content" in International Journal of Cast Metals Research, 29, no. 4 (2016):187-193,
https://doi.org/10.1179/1743133613Y.1125982 . .
10

Nanostructured materials for solid-state hydrogen storage: A review of the achievement of COST Action MP1103

Callini, Elsa; Aguey-Zinsou, Kondo-Francois; Ahuja, Rajeev; Ramon Ares, Jose; Bals, Sara; Biliskov, Nikola; Chakraborty, Sudip; Charalambopoulou, Georgia; Chaudhary, Anna-Lisa; Cuevas, Fermin; Dam, Bernard; de Jongh, Petra; Dornheim, Martin; Filinchuk, Yaroslav; Grbović-Novaković, Jasmina; Hirscher, Michael; Jensen, Torben R.; Jensen, Peter Bjerre; Novaković, Nikola; Lai, Qiwen; Leardini, Fabrice; Gattia, Daniele Mirabile; Pasquini, Luca; Steriotis, Theodore; Turner, Stuart; Vegge, Tejs; Zuttel, Andreas; Montone, Amelia

(2016)

TY  - JOUR
AU  - Callini, Elsa
AU  - Aguey-Zinsou, Kondo-Francois
AU  - Ahuja, Rajeev
AU  - Ramon Ares, Jose
AU  - Bals, Sara
AU  - Biliskov, Nikola
AU  - Chakraborty, Sudip
AU  - Charalambopoulou, Georgia
AU  - Chaudhary, Anna-Lisa
AU  - Cuevas, Fermin
AU  - Dam, Bernard
AU  - de Jongh, Petra
AU  - Dornheim, Martin
AU  - Filinchuk, Yaroslav
AU  - Grbović-Novaković, Jasmina
AU  - Hirscher, Michael
AU  - Jensen, Torben R.
AU  - Jensen, Peter Bjerre
AU  - Novaković, Nikola
AU  - Lai, Qiwen
AU  - Leardini, Fabrice
AU  - Gattia, Daniele Mirabile
AU  - Pasquini, Luca
AU  - Steriotis, Theodore
AU  - Turner, Stuart
AU  - Vegge, Tejs
AU  - Zuttel, Andreas
AU  - Montone, Amelia
PY  - 2016
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/7109
AB  - In the framework of the European Cooperation in Science and Technology (COST) Action MP1103 Nanostructured Materials for Solid-State Hydrogen Storage were synthesized, characterized and modeled. This Action dealt with the state of the art of energy storage and set up a competitive and coordinated network capable to define new and unexplored ways for Solid State Hydrogen Storage by innovative and interdisciplinary research within the European Research Area. An important number of new compounds have been synthesized: metal hydrides, complex hydrides, metal halide ammines and amidoboranes. Tuning the structure from bulk to thin film, nanoparticles and nanoconfined composites improved the hydrogen sorption properties and opened the perspective to new technological applications. Direct imaging of the hydrogenation reactions and in situ measurements under operando conditions have been carried out in these studies. Computational screening methods allowed the prediction of suitable compounds for hydrogen storage and the modeling of the hydrogen sorption reactions on mono-, bi-, and three-dimensional systems. This manuscript presents a review of the main achievements of this Action. (C) 2016 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
T2  - International Journal of Hydrogen Energy
T1  - Nanostructured materials for solid-state hydrogen storage: A review of the achievement of COST Action MP1103
VL  - 41
IS  - 32
SP  - 14404
EP  - 14428
DO  - 10.1016/j.ijhydene.2016.04.025
ER  - 
@article{
author = "Callini, Elsa and Aguey-Zinsou, Kondo-Francois and Ahuja, Rajeev and Ramon Ares, Jose and Bals, Sara and Biliskov, Nikola and Chakraborty, Sudip and Charalambopoulou, Georgia and Chaudhary, Anna-Lisa and Cuevas, Fermin and Dam, Bernard and de Jongh, Petra and Dornheim, Martin and Filinchuk, Yaroslav and Grbović-Novaković, Jasmina and Hirscher, Michael and Jensen, Torben R. and Jensen, Peter Bjerre and Novaković, Nikola and Lai, Qiwen and Leardini, Fabrice and Gattia, Daniele Mirabile and Pasquini, Luca and Steriotis, Theodore and Turner, Stuart and Vegge, Tejs and Zuttel, Andreas and Montone, Amelia",
year = "2016",
abstract = "In the framework of the European Cooperation in Science and Technology (COST) Action MP1103 Nanostructured Materials for Solid-State Hydrogen Storage were synthesized, characterized and modeled. This Action dealt with the state of the art of energy storage and set up a competitive and coordinated network capable to define new and unexplored ways for Solid State Hydrogen Storage by innovative and interdisciplinary research within the European Research Area. An important number of new compounds have been synthesized: metal hydrides, complex hydrides, metal halide ammines and amidoboranes. Tuning the structure from bulk to thin film, nanoparticles and nanoconfined composites improved the hydrogen sorption properties and opened the perspective to new technological applications. Direct imaging of the hydrogenation reactions and in situ measurements under operando conditions have been carried out in these studies. Computational screening methods allowed the prediction of suitable compounds for hydrogen storage and the modeling of the hydrogen sorption reactions on mono-, bi-, and three-dimensional systems. This manuscript presents a review of the main achievements of this Action. (C) 2016 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.",
journal = "International Journal of Hydrogen Energy",
title = "Nanostructured materials for solid-state hydrogen storage: A review of the achievement of COST Action MP1103",
volume = "41",
number = "32",
pages = "14404-14428",
doi = "10.1016/j.ijhydene.2016.04.025"
}
Callini, E., Aguey-Zinsou, K., Ahuja, R., Ramon Ares, J., Bals, S., Biliskov, N., Chakraborty, S., Charalambopoulou, G., Chaudhary, A., Cuevas, F., Dam, B., de Jongh, P., Dornheim, M., Filinchuk, Y., Grbović-Novaković, J., Hirscher, M., Jensen, T. R., Jensen, P. B., Novaković, N., Lai, Q., Leardini, F., Gattia, D. M., Pasquini, L., Steriotis, T., Turner, S., Vegge, T., Zuttel, A.,& Montone, A.. (2016). Nanostructured materials for solid-state hydrogen storage: A review of the achievement of COST Action MP1103. in International Journal of Hydrogen Energy, 41(32), 14404-14428.
https://doi.org/10.1016/j.ijhydene.2016.04.025
Callini E, Aguey-Zinsou K, Ahuja R, Ramon Ares J, Bals S, Biliskov N, Chakraborty S, Charalambopoulou G, Chaudhary A, Cuevas F, Dam B, de Jongh P, Dornheim M, Filinchuk Y, Grbović-Novaković J, Hirscher M, Jensen TR, Jensen PB, Novaković N, Lai Q, Leardini F, Gattia DM, Pasquini L, Steriotis T, Turner S, Vegge T, Zuttel A, Montone A. Nanostructured materials for solid-state hydrogen storage: A review of the achievement of COST Action MP1103. in International Journal of Hydrogen Energy. 2016;41(32):14404-14428.
doi:10.1016/j.ijhydene.2016.04.025 .
Callini, Elsa, Aguey-Zinsou, Kondo-Francois, Ahuja, Rajeev, Ramon Ares, Jose, Bals, Sara, Biliskov, Nikola, Chakraborty, Sudip, Charalambopoulou, Georgia, Chaudhary, Anna-Lisa, Cuevas, Fermin, Dam, Bernard, de Jongh, Petra, Dornheim, Martin, Filinchuk, Yaroslav, Grbović-Novaković, Jasmina, Hirscher, Michael, Jensen, Torben R., Jensen, Peter Bjerre, Novaković, Nikola, Lai, Qiwen, Leardini, Fabrice, Gattia, Daniele Mirabile, Pasquini, Luca, Steriotis, Theodore, Turner, Stuart, Vegge, Tejs, Zuttel, Andreas, Montone, Amelia, "Nanostructured materials for solid-state hydrogen storage: A review of the achievement of COST Action MP1103" in International Journal of Hydrogen Energy, 41, no. 32 (2016):14404-14428,
https://doi.org/10.1016/j.ijhydene.2016.04.025 . .
7
69
62
66

Tensile properties of ADI material in water and gaseous environments

Rajnović, Dragan; Balos, Sebastian; Sidjanin, Leposava; Erić-Cekić, Olivera; Grbović-Novaković, Jasmina

(2015)

TY  - JOUR
AU  - Rajnović, Dragan
AU  - Balos, Sebastian
AU  - Sidjanin, Leposava
AU  - Erić-Cekić, Olivera
AU  - Grbović-Novaković, Jasmina
PY  - 2015
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/638
AB  - Austempered ductile iron (ADI) is an advanced type of heat treated ductile iron, having comparable mechanical properties as forged steels. However, it was found that in contact with water the mechanical properties of austempered ductile irons decrease, especially their ductility. Despite considerable scientific attention, the cause of this phenomenon remains unclear. Some authors suggested that hydrogen or small atom chemisorption causes the weakening of the surface atomic bonds. To get additional reliable data of that phenomenon, in this paper, two different types of austempered ductile irons were tensile tested in various environments, such as: argon, helium, hydrogen gas and water. It was found that only the hydrogen gas and water gave a statistically significant decrease in mechanical properties, i.e. cause embrittlement. Furthermore, the fracture surface analysis revealed that the morphology of the embrittled zone near the specimen surface shares similarities to the fatigue micro-containing striation-like lines, which indicates that the morphology of the brittle zone may be caused by cyclic local-chemisorption, micro-embrittlement and local-fracture. (C) 2015 Elsevier Inc. All rights reserved.
T2  - Materials Characterization
T1  - Tensile properties of ADI material in water and gaseous environments
VL  - 101
SP  - 26
EP  - 33
DO  - 10.1016/j.matchar.2015.01.001
ER  - 
@article{
author = "Rajnović, Dragan and Balos, Sebastian and Sidjanin, Leposava and Erić-Cekić, Olivera and Grbović-Novaković, Jasmina",
year = "2015",
abstract = "Austempered ductile iron (ADI) is an advanced type of heat treated ductile iron, having comparable mechanical properties as forged steels. However, it was found that in contact with water the mechanical properties of austempered ductile irons decrease, especially their ductility. Despite considerable scientific attention, the cause of this phenomenon remains unclear. Some authors suggested that hydrogen or small atom chemisorption causes the weakening of the surface atomic bonds. To get additional reliable data of that phenomenon, in this paper, two different types of austempered ductile irons were tensile tested in various environments, such as: argon, helium, hydrogen gas and water. It was found that only the hydrogen gas and water gave a statistically significant decrease in mechanical properties, i.e. cause embrittlement. Furthermore, the fracture surface analysis revealed that the morphology of the embrittled zone near the specimen surface shares similarities to the fatigue micro-containing striation-like lines, which indicates that the morphology of the brittle zone may be caused by cyclic local-chemisorption, micro-embrittlement and local-fracture. (C) 2015 Elsevier Inc. All rights reserved.",
journal = "Materials Characterization",
title = "Tensile properties of ADI material in water and gaseous environments",
volume = "101",
pages = "26-33",
doi = "10.1016/j.matchar.2015.01.001"
}
Rajnović, D., Balos, S., Sidjanin, L., Erić-Cekić, O.,& Grbović-Novaković, J.. (2015). Tensile properties of ADI material in water and gaseous environments. in Materials Characterization, 101, 26-33.
https://doi.org/10.1016/j.matchar.2015.01.001
Rajnović D, Balos S, Sidjanin L, Erić-Cekić O, Grbović-Novaković J. Tensile properties of ADI material in water and gaseous environments. in Materials Characterization. 2015;101:26-33.
doi:10.1016/j.matchar.2015.01.001 .
Rajnović, Dragan, Balos, Sebastian, Sidjanin, Leposava, Erić-Cekić, Olivera, Grbović-Novaković, Jasmina, "Tensile properties of ADI material in water and gaseous environments" in Materials Characterization, 101 (2015):26-33,
https://doi.org/10.1016/j.matchar.2015.01.001 . .
6
5
5

Combined XRD and XPS analysis of ex-situ and in-situ plasma hydrogenated magnetron sputtered Mg films

Milcius, D.; Grbović-Novaković, Jasmina; Zostautiene, R.; Lelis, M.; Girdzevicius, D.; Urbonavicius, M.

(2015)

TY  - JOUR
AU  - Milcius, D.
AU  - Grbović-Novaković, Jasmina
AU  - Zostautiene, R.
AU  - Lelis, M.
AU  - Girdzevicius, D.
AU  - Urbonavicius, M.
PY  - 2015
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/733
AB  - Contrary to traditional methods including top layer catalyst deposition and ex-situ hydrogenation in current study Mg-H films were synthesized using magnetron sputtering in Ar+ atmosphere and their in-situ hydrogenation in magnetron induced hydrogen plasma. XRD analysis of hydrogenated Mg-H films revealed changes of preferred crystallographic orientation. After 1-3 h of in-situ plasma hydrogenation XRD does not indicate presence of any crystalline MgH2 phase but it is observed after 5 h. The appearance of significant amount of crystalline MgH2 phase after prolonged time of in-situ hydrogenation presupposed that samples without clear expression of MgH2 crystal phase might still have hydrogen rich amorphous Mg phase which is not observable by XRD. The analysis of predicted hydrogen containing phase was performed using combination of conventional SEM; AFM, Q-Q XRD, GI-XRD and XPS analysis techniques. The obtained data of hydrogen containing phase distribution at the surface of the samples and its distribution depth profiles are presented together with considerations related to the efficiency of the proposed in-situ hydrogenation approach and combined analysis methods. (C) 2015 Elsevier B.V. All rights reserved.
T2  - Journal of Alloys and Compounds
T1  - Combined XRD and XPS analysis of ex-situ and in-situ plasma hydrogenated magnetron sputtered Mg films
VL  - 647
SP  - 790
EP  - 796
DO  - 10.1016/j.jallcom.2015.05.151
ER  - 
@article{
author = "Milcius, D. and Grbović-Novaković, Jasmina and Zostautiene, R. and Lelis, M. and Girdzevicius, D. and Urbonavicius, M.",
year = "2015",
abstract = "Contrary to traditional methods including top layer catalyst deposition and ex-situ hydrogenation in current study Mg-H films were synthesized using magnetron sputtering in Ar+ atmosphere and their in-situ hydrogenation in magnetron induced hydrogen plasma. XRD analysis of hydrogenated Mg-H films revealed changes of preferred crystallographic orientation. After 1-3 h of in-situ plasma hydrogenation XRD does not indicate presence of any crystalline MgH2 phase but it is observed after 5 h. The appearance of significant amount of crystalline MgH2 phase after prolonged time of in-situ hydrogenation presupposed that samples without clear expression of MgH2 crystal phase might still have hydrogen rich amorphous Mg phase which is not observable by XRD. The analysis of predicted hydrogen containing phase was performed using combination of conventional SEM; AFM, Q-Q XRD, GI-XRD and XPS analysis techniques. The obtained data of hydrogen containing phase distribution at the surface of the samples and its distribution depth profiles are presented together with considerations related to the efficiency of the proposed in-situ hydrogenation approach and combined analysis methods. (C) 2015 Elsevier B.V. All rights reserved.",
journal = "Journal of Alloys and Compounds",
title = "Combined XRD and XPS analysis of ex-situ and in-situ plasma hydrogenated magnetron sputtered Mg films",
volume = "647",
pages = "790-796",
doi = "10.1016/j.jallcom.2015.05.151"
}
Milcius, D., Grbović-Novaković, J., Zostautiene, R., Lelis, M., Girdzevicius, D.,& Urbonavicius, M.. (2015). Combined XRD and XPS analysis of ex-situ and in-situ plasma hydrogenated magnetron sputtered Mg films. in Journal of Alloys and Compounds, 647, 790-796.
https://doi.org/10.1016/j.jallcom.2015.05.151
Milcius D, Grbović-Novaković J, Zostautiene R, Lelis M, Girdzevicius D, Urbonavicius M. Combined XRD and XPS analysis of ex-situ and in-situ plasma hydrogenated magnetron sputtered Mg films. in Journal of Alloys and Compounds. 2015;647:790-796.
doi:10.1016/j.jallcom.2015.05.151 .
Milcius, D., Grbović-Novaković, Jasmina, Zostautiene, R., Lelis, M., Girdzevicius, D., Urbonavicius, M., "Combined XRD and XPS analysis of ex-situ and in-situ plasma hydrogenated magnetron sputtered Mg films" in Journal of Alloys and Compounds, 647 (2015):790-796,
https://doi.org/10.1016/j.jallcom.2015.05.151 . .
20
19
20

Investigation of surface and near-surface effects on hydrogen desorption kinetics of MgH2

Kurko, Sandra V.; Milanović, Igor; Grbović-Novaković, Jasmina; Ivanović, Nenad; Novaković, Nikola

(2014)

TY  - JOUR
AU  - Kurko, Sandra V.
AU  - Milanović, Igor
AU  - Grbović-Novaković, Jasmina
AU  - Ivanović, Nenad
AU  - Novaković, Nikola
PY  - 2014
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/5875
AB  - Desorption of hydrogen atoms from the (110) surface of rutile magnesium hydride (MgH2) was investigated using density functional theory (DFT) and pseudopotential method. System was represented by (110) (2x2) slab MgH2 supercell with 12 atomic layers along the z-axis. The H-desorption was modeled by the successive release of the four two-fold bonded H atoms from the (110) surface of MgH2. Dependence of the H-desorption energy on number and configuration of remaining surface hydrogen atoms has been determined. The features of the H atoms diffusion from the bulk towards the surface have been investigated, too. The results suggest that decrease in number of surface H atoms generally lowers the H-desorption energy in each desorption step and that both the H-H and the Mg-H interatomic interactions strongly influence the H-desorption process. The hydrogen vacancy formation energy in the first three sub-surface layers also exhibits a pronounced dependence on concentration. These findings lead to the conclusion that tendency of the MgH2 (110) surface to preserve a maximum possible surface H concentration in its most stable configuration is the limiting factor for the H-desorption kinetics. In principle, the obtained results allow us to determine preferred paths of surface and subsurface H-diffusion for a wide range of H concentrations and the principle features of the MgH2 dehydrogenation process, at least for the H-rich region. Being rather comprehensive, the approach is applicable for other metal hydrides, as well. Copyright (C) 2013, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
T2  - International Journal of Hydrogen Energy
T1  - Investigation of surface and near-surface effects on hydrogen desorption kinetics of MgH2
VL  - 39
IS  - 2
SP  - 862
EP  - 867
DO  - 10.1016/j.ijhydene.2013.10.107
ER  - 
@article{
author = "Kurko, Sandra V. and Milanović, Igor and Grbović-Novaković, Jasmina and Ivanović, Nenad and Novaković, Nikola",
year = "2014",
abstract = "Desorption of hydrogen atoms from the (110) surface of rutile magnesium hydride (MgH2) was investigated using density functional theory (DFT) and pseudopotential method. System was represented by (110) (2x2) slab MgH2 supercell with 12 atomic layers along the z-axis. The H-desorption was modeled by the successive release of the four two-fold bonded H atoms from the (110) surface of MgH2. Dependence of the H-desorption energy on number and configuration of remaining surface hydrogen atoms has been determined. The features of the H atoms diffusion from the bulk towards the surface have been investigated, too. The results suggest that decrease in number of surface H atoms generally lowers the H-desorption energy in each desorption step and that both the H-H and the Mg-H interatomic interactions strongly influence the H-desorption process. The hydrogen vacancy formation energy in the first three sub-surface layers also exhibits a pronounced dependence on concentration. These findings lead to the conclusion that tendency of the MgH2 (110) surface to preserve a maximum possible surface H concentration in its most stable configuration is the limiting factor for the H-desorption kinetics. In principle, the obtained results allow us to determine preferred paths of surface and subsurface H-diffusion for a wide range of H concentrations and the principle features of the MgH2 dehydrogenation process, at least for the H-rich region. Being rather comprehensive, the approach is applicable for other metal hydrides, as well. Copyright (C) 2013, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.",
journal = "International Journal of Hydrogen Energy",
title = "Investigation of surface and near-surface effects on hydrogen desorption kinetics of MgH2",
volume = "39",
number = "2",
pages = "862-867",
doi = "10.1016/j.ijhydene.2013.10.107"
}
Kurko, S. V., Milanović, I., Grbović-Novaković, J., Ivanović, N.,& Novaković, N.. (2014). Investigation of surface and near-surface effects on hydrogen desorption kinetics of MgH2. in International Journal of Hydrogen Energy, 39(2), 862-867.
https://doi.org/10.1016/j.ijhydene.2013.10.107
Kurko SV, Milanović I, Grbović-Novaković J, Ivanović N, Novaković N. Investigation of surface and near-surface effects on hydrogen desorption kinetics of MgH2. in International Journal of Hydrogen Energy. 2014;39(2):862-867.
doi:10.1016/j.ijhydene.2013.10.107 .
Kurko, Sandra V., Milanović, Igor, Grbović-Novaković, Jasmina, Ivanović, Nenad, Novaković, Nikola, "Investigation of surface and near-surface effects on hydrogen desorption kinetics of MgH2" in International Journal of Hydrogen Energy, 39, no. 2 (2014):862-867,
https://doi.org/10.1016/j.ijhydene.2013.10.107 . .
16
18
18

Remarkable sorption properties of MgH2-VO2 nanocompostites

Milošević, Sanja S.; Vujasin, Radojka; Matović, Ljiljana; Rašković-Lovre, Željka; Pasquini, L.; Grbović-Novaković, Jasmina

(Society of Physical Chemists of Serbia, 2014)

TY  - CONF
AU  - Milošević, Sanja S.
AU  - Vujasin, Radojka
AU  - Matović, Ljiljana
AU  - Rašković-Lovre, Željka
AU  - Pasquini, L.
AU  - Grbović-Novaković, Jasmina
PY  - 2014
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9238
AB  - Composite of MgH2 VO2 has been synthesized by high-energy mechanical
milling. The sorption properties of composites were examined by
differential scanning calorimetry and sorption analysis. It has been shown
that at relatively low temperature sorption reaction is notable enhanced.
Complete desorption of pure MgH2 at 380°C finishes after 30 minutes while
composite material fully desorbs in less than 2 minutes even at lower
temperatures.
PB  - Society of Physical Chemists of Serbia
C3  - PHYSICAL CHEMISTRY 2014: 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry
T1  - Remarkable sorption properties of MgH2-VO2 nanocompostites
VL  - H-25-P
ER  - 
@conference{
author = "Milošević, Sanja S. and Vujasin, Radojka and Matović, Ljiljana and Rašković-Lovre, Željka and Pasquini, L. and Grbović-Novaković, Jasmina",
year = "2014",
abstract = "Composite of MgH2 VO2 has been synthesized by high-energy mechanical
milling. The sorption properties of composites were examined by
differential scanning calorimetry and sorption analysis. It has been shown
that at relatively low temperature sorption reaction is notable enhanced.
Complete desorption of pure MgH2 at 380°C finishes after 30 minutes while
composite material fully desorbs in less than 2 minutes even at lower
temperatures.",
publisher = "Society of Physical Chemists of Serbia",
journal = "PHYSICAL CHEMISTRY 2014: 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry",
title = "Remarkable sorption properties of MgH2-VO2 nanocompostites",
volume = "H-25-P"
}
Milošević, S. S., Vujasin, R., Matović, L., Rašković-Lovre, Ž., Pasquini, L.,& Grbović-Novaković, J.. (2014). Remarkable sorption properties of MgH2-VO2 nanocompostites. in PHYSICAL CHEMISTRY 2014: 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry
Society of Physical Chemists of Serbia., H-25-P.
Milošević SS, Vujasin R, Matović L, Rašković-Lovre Ž, Pasquini L, Grbović-Novaković J. Remarkable sorption properties of MgH2-VO2 nanocompostites. in PHYSICAL CHEMISTRY 2014: 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry. 2014;H-25-P..
Milošević, Sanja S., Vujasin, Radojka, Matović, Ljiljana, Rašković-Lovre, Željka, Pasquini, L., Grbović-Novaković, Jasmina, "Remarkable sorption properties of MgH2-VO2 nanocompostites" in PHYSICAL CHEMISTRY 2014: 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry, H-25-P (2014).

Near-surface hydrogen dynamics in titania

Vujasin, Radojka; Paskaš Mamula, Bojana; Milanović, Igor; Grbović-Novaković, Jasmina; Novaković, Nikola

(Society of Physical Chemists of Serbia, 2014)

TY  - CONF
AU  - Vujasin, Radojka
AU  - Paskaš Mamula, Bojana
AU  - Milanović, Igor
AU  - Grbović-Novaković, Jasmina
AU  - Novaković, Nikola
PY  - 2014
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9220
AB  - The hydrogen interaction with the TiO2 (110) surface has been investigated
using pseudopotential and PAW methods with addition of U Hubbard term.
The hydrogen diffusion behavior and thermodynamic properties were
calculated by means of full relaxation of structure in every step of bulk
diffusion. The results show the existence of potential barriers close to every
atomic layer, the trends of barriers and overall system energy lowering away
from surface and the occurrence of preferential H sites within each
interlayer basin. These findings go in favor of previously experimental
findings of TiO2 low surface H coverage and observed easy diffusion of
hydrogen from reduced surface into the TiO2 bulk or at least in near surface
region.
PB  - Society of Physical Chemists of Serbia
C3  - PHYSICAL CHEMISTRY 2014: 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry
T1  - Near-surface hydrogen dynamics in titania
VL  - I-07-P
ER  - 
@conference{
author = "Vujasin, Radojka and Paskaš Mamula, Bojana and Milanović, Igor and Grbović-Novaković, Jasmina and Novaković, Nikola",
year = "2014",
abstract = "The hydrogen interaction with the TiO2 (110) surface has been investigated
using pseudopotential and PAW methods with addition of U Hubbard term.
The hydrogen diffusion behavior and thermodynamic properties were
calculated by means of full relaxation of structure in every step of bulk
diffusion. The results show the existence of potential barriers close to every
atomic layer, the trends of barriers and overall system energy lowering away
from surface and the occurrence of preferential H sites within each
interlayer basin. These findings go in favor of previously experimental
findings of TiO2 low surface H coverage and observed easy diffusion of
hydrogen from reduced surface into the TiO2 bulk or at least in near surface
region.",
publisher = "Society of Physical Chemists of Serbia",
journal = "PHYSICAL CHEMISTRY 2014: 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry",
title = "Near-surface hydrogen dynamics in titania",
volume = "I-07-P"
}
Vujasin, R., Paskaš Mamula, B., Milanović, I., Grbović-Novaković, J.,& Novaković, N.. (2014). Near-surface hydrogen dynamics in titania. in PHYSICAL CHEMISTRY 2014: 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry
Society of Physical Chemists of Serbia., I-07-P.
Vujasin R, Paskaš Mamula B, Milanović I, Grbović-Novaković J, Novaković N. Near-surface hydrogen dynamics in titania. in PHYSICAL CHEMISTRY 2014: 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry. 2014;I-07-P..
Vujasin, Radojka, Paskaš Mamula, Bojana, Milanović, Igor, Grbović-Novaković, Jasmina, Novaković, Nikola, "Near-surface hydrogen dynamics in titania" in PHYSICAL CHEMISTRY 2014: 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry, I-07-P (2014).

Electronic structure and charge distribution topology of MgH2 doped with 3d transition metals

Paskaš Mamula, Bojana; Grbović-Novaković, Jasmina; Radisavljević, Ivana; Ivanović, Nenad; Novaković, Nikola

(2014)

TY  - JOUR
AU  - Paskaš Mamula, Bojana
AU  - Grbović-Novaković, Jasmina
AU  - Radisavljević, Ivana
AU  - Ivanović, Nenad
AU  - Novaković, Nikola
PY  - 2014
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/5966
AB  - Ab initio electronic structure calculations of the Mg15TMH32 (TM - transition metals - 6.25 at.%) systems for the entire 3d TM series have been performed using full-potential (linearized) augmented plane waves with addition of local orbitals (FP-LAPW + LO and APW + lo) as implemented in WIEN2k code and projected augmented waves (PAW) method using Abinit code. Details of bonding and mechanism of the TM impurities influence on destabilization of MgH2 were established by investigation of changes of electronic structure after the TM impurities insertion into MgH2 and by using the atoms in molecules (AIM) Baders charge density topology analysis. The obtained trends of all calculated observables show that along the 3d series TMs accomplish different kinds of bonding with nearest and next-nearest neighbor hydrogen atoms that in general weaken related Mg-H bonds and destabilize the surrounding MgH2 matrix. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
T2  - International Journal of Hydrogen Energy
T1  - Electronic structure and charge distribution topology of MgH2 doped with 3d transition metals
VL  - 39
IS  - 11
SP  - 5874
EP  - 5887
DO  - 10.1016/j.ijhydene.2014.01.172
ER  - 
@article{
author = "Paskaš Mamula, Bojana and Grbović-Novaković, Jasmina and Radisavljević, Ivana and Ivanović, Nenad and Novaković, Nikola",
year = "2014",
abstract = "Ab initio electronic structure calculations of the Mg15TMH32 (TM - transition metals - 6.25 at.%) systems for the entire 3d TM series have been performed using full-potential (linearized) augmented plane waves with addition of local orbitals (FP-LAPW + LO and APW + lo) as implemented in WIEN2k code and projected augmented waves (PAW) method using Abinit code. Details of bonding and mechanism of the TM impurities influence on destabilization of MgH2 were established by investigation of changes of electronic structure after the TM impurities insertion into MgH2 and by using the atoms in molecules (AIM) Baders charge density topology analysis. The obtained trends of all calculated observables show that along the 3d series TMs accomplish different kinds of bonding with nearest and next-nearest neighbor hydrogen atoms that in general weaken related Mg-H bonds and destabilize the surrounding MgH2 matrix. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.",
journal = "International Journal of Hydrogen Energy",
title = "Electronic structure and charge distribution topology of MgH2 doped with 3d transition metals",
volume = "39",
number = "11",
pages = "5874-5887",
doi = "10.1016/j.ijhydene.2014.01.172"
}
Paskaš Mamula, B., Grbović-Novaković, J., Radisavljević, I., Ivanović, N.,& Novaković, N.. (2014). Electronic structure and charge distribution topology of MgH2 doped with 3d transition metals. in International Journal of Hydrogen Energy, 39(11), 5874-5887.
https://doi.org/10.1016/j.ijhydene.2014.01.172
Paskaš Mamula B, Grbović-Novaković J, Radisavljević I, Ivanović N, Novaković N. Electronic structure and charge distribution topology of MgH2 doped with 3d transition metals. in International Journal of Hydrogen Energy. 2014;39(11):5874-5887.
doi:10.1016/j.ijhydene.2014.01.172 .
Paskaš Mamula, Bojana, Grbović-Novaković, Jasmina, Radisavljević, Ivana, Ivanović, Nenad, Novaković, Nikola, "Electronic structure and charge distribution topology of MgH2 doped with 3d transition metals" in International Journal of Hydrogen Energy, 39, no. 11 (2014):5874-5887,
https://doi.org/10.1016/j.ijhydene.2014.01.172 . .
38
37
38

Influence of VO2 nanostructured ceramics on hydrogen desorption properties from magnesium hydride

Milošević, Sanja S.; Rašković-Lovre, Željka; Kurko, Sandra V.; Vujasin, Radojka; Cvjetićanin, Nikola; Matović, Ljiljana; Grbović-Novaković, Jasmina

(2013)

TY  - JOUR
AU  - Milošević, Sanja S.
AU  - Rašković-Lovre, Željka
AU  - Kurko, Sandra V.
AU  - Vujasin, Radojka
AU  - Cvjetićanin, Nikola
AU  - Matović, Ljiljana
AU  - Grbović-Novaković, Jasmina
PY  - 2013
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/5324
AB  - The hydrogen desorption properties and kinetics of MgH2-VO2 composite prepared by mechanical milling of MgH2 and VO2 have been investigated. Structural characterization of produced nanocomposite was done by X-ray powder diffraction (XRD), particle size analysis and scanning electron microscopy (SEM). The structure and morphology of the composite have been correlated with hydrogen desorption properties investigated by differential thermal analysis (DTA). It has been shown that short mechanical milling of nanostructured VO2 and MgH2 leads to decrease of hydrogen desorption temperature of MgH2 by 80 K. The mechanism of desorption has been changed from phase boundary reaction, spherical symmetry for untreated MgH2 to phase boundary reaction, cylindrical symmetry for the composite material. The activation energy for desorption has been reduced by adding VO2 ceramics as a catalyst. (C) 2012 Elsevier Ltd and, Techna Group S.r.l. All rights reserved.
T2  - Ceramics International
T1  - Influence of VO2 nanostructured ceramics on hydrogen desorption properties from magnesium hydride
VL  - 39
IS  - 1
SP  - 51
EP  - 56
DO  - 10.1016/j.ceramint.2012.05.091
ER  - 
@article{
author = "Milošević, Sanja S. and Rašković-Lovre, Željka and Kurko, Sandra V. and Vujasin, Radojka and Cvjetićanin, Nikola and Matović, Ljiljana and Grbović-Novaković, Jasmina",
year = "2013",
abstract = "The hydrogen desorption properties and kinetics of MgH2-VO2 composite prepared by mechanical milling of MgH2 and VO2 have been investigated. Structural characterization of produced nanocomposite was done by X-ray powder diffraction (XRD), particle size analysis and scanning electron microscopy (SEM). The structure and morphology of the composite have been correlated with hydrogen desorption properties investigated by differential thermal analysis (DTA). It has been shown that short mechanical milling of nanostructured VO2 and MgH2 leads to decrease of hydrogen desorption temperature of MgH2 by 80 K. The mechanism of desorption has been changed from phase boundary reaction, spherical symmetry for untreated MgH2 to phase boundary reaction, cylindrical symmetry for the composite material. The activation energy for desorption has been reduced by adding VO2 ceramics as a catalyst. (C) 2012 Elsevier Ltd and, Techna Group S.r.l. All rights reserved.",
journal = "Ceramics International",
title = "Influence of VO2 nanostructured ceramics on hydrogen desorption properties from magnesium hydride",
volume = "39",
number = "1",
pages = "51-56",
doi = "10.1016/j.ceramint.2012.05.091"
}
Milošević, S. S., Rašković-Lovre, Ž., Kurko, S. V., Vujasin, R., Cvjetićanin, N., Matović, L.,& Grbović-Novaković, J.. (2013). Influence of VO2 nanostructured ceramics on hydrogen desorption properties from magnesium hydride. in Ceramics International, 39(1), 51-56.
https://doi.org/10.1016/j.ceramint.2012.05.091
Milošević SS, Rašković-Lovre Ž, Kurko SV, Vujasin R, Cvjetićanin N, Matović L, Grbović-Novaković J. Influence of VO2 nanostructured ceramics on hydrogen desorption properties from magnesium hydride. in Ceramics International. 2013;39(1):51-56.
doi:10.1016/j.ceramint.2012.05.091 .
Milošević, Sanja S., Rašković-Lovre, Željka, Kurko, Sandra V., Vujasin, Radojka, Cvjetićanin, Nikola, Matović, Ljiljana, Grbović-Novaković, Jasmina, "Influence of VO2 nanostructured ceramics on hydrogen desorption properties from magnesium hydride" in Ceramics International, 39, no. 1 (2013):51-56,
https://doi.org/10.1016/j.ceramint.2012.05.091 . .
23
22
22

Changes in Storage Properties of Hydrides Induced by Ion Irradiation

Grbović-Novaković, Jasmina; Kurko, Sandra V.; Rašković-Lovre, Željka; Milošević, Sanja S.; Milanović, Igor; Stojanović, Zoran S.; Vujasin, Radojka; Matović, Ljiljana

(2013)

TY  - JOUR
AU  - Grbović-Novaković, Jasmina
AU  - Kurko, Sandra V.
AU  - Rašković-Lovre, Željka
AU  - Milošević, Sanja S.
AU  - Milanović, Igor
AU  - Stojanović, Zoran S.
AU  - Vujasin, Radojka
AU  - Matović, Ljiljana
PY  - 2013
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/5536
AB  - The influence of structural changes caused by irradiation with different ions, their energies and fluences on sorption properties has been investigated. The irradiation has been done using B3+ and N3+ ions at 45 keV with ion fluence of 10(16) ion/cm(2) at the FAMA ion source at Vinca Institute of Nuclear Sciences in Belgrade. Morphology and microstructure of samples were analysed using XRD and particle size analysis, while estimation of penetration depth and deposition of defects were done by SRIM calculations. Hydrogen desorption properties and kinetics were evaluated from TPD measurements and numerical non-isothermal procedure. Results suggest that there are several mechanisms of desorption depending on defect concentration, their interaction and ordering. It has been also demonstrated that the changes in near-surface area play the crucial role in hydrogen desorption kinetics. It is confirmed that there is possibility to control the thermodynamic parameters of these systems by controlling vacancies depth profile and concentration.
T2  - Materials Science - Medziagotyra
T1  - Changes in Storage Properties of Hydrides Induced by Ion Irradiation
VL  - 19
IS  - 2
SP  - 134
EP  - 139
DO  - 10.5755/j01.ms.19.2.1579
ER  - 
@article{
author = "Grbović-Novaković, Jasmina and Kurko, Sandra V. and Rašković-Lovre, Željka and Milošević, Sanja S. and Milanović, Igor and Stojanović, Zoran S. and Vujasin, Radojka and Matović, Ljiljana",
year = "2013",
abstract = "The influence of structural changes caused by irradiation with different ions, their energies and fluences on sorption properties has been investigated. The irradiation has been done using B3+ and N3+ ions at 45 keV with ion fluence of 10(16) ion/cm(2) at the FAMA ion source at Vinca Institute of Nuclear Sciences in Belgrade. Morphology and microstructure of samples were analysed using XRD and particle size analysis, while estimation of penetration depth and deposition of defects were done by SRIM calculations. Hydrogen desorption properties and kinetics were evaluated from TPD measurements and numerical non-isothermal procedure. Results suggest that there are several mechanisms of desorption depending on defect concentration, their interaction and ordering. It has been also demonstrated that the changes in near-surface area play the crucial role in hydrogen desorption kinetics. It is confirmed that there is possibility to control the thermodynamic parameters of these systems by controlling vacancies depth profile and concentration.",
journal = "Materials Science - Medziagotyra",
title = "Changes in Storage Properties of Hydrides Induced by Ion Irradiation",
volume = "19",
number = "2",
pages = "134-139",
doi = "10.5755/j01.ms.19.2.1579"
}
Grbović-Novaković, J., Kurko, S. V., Rašković-Lovre, Ž., Milošević, S. S., Milanović, I., Stojanović, Z. S., Vujasin, R.,& Matović, L.. (2013). Changes in Storage Properties of Hydrides Induced by Ion Irradiation. in Materials Science - Medziagotyra, 19(2), 134-139.
https://doi.org/10.5755/j01.ms.19.2.1579
Grbović-Novaković J, Kurko SV, Rašković-Lovre Ž, Milošević SS, Milanović I, Stojanović ZS, Vujasin R, Matović L. Changes in Storage Properties of Hydrides Induced by Ion Irradiation. in Materials Science - Medziagotyra. 2013;19(2):134-139.
doi:10.5755/j01.ms.19.2.1579 .
Grbović-Novaković, Jasmina, Kurko, Sandra V., Rašković-Lovre, Željka, Milošević, Sanja S., Milanović, Igor, Stojanović, Zoran S., Vujasin, Radojka, Matović, Ljiljana, "Changes in Storage Properties of Hydrides Induced by Ion Irradiation" in Materials Science - Medziagotyra, 19, no. 2 (2013):134-139,
https://doi.org/10.5755/j01.ms.19.2.1579 . .
1
2
2

Hydrogen sorption properties of MgH2/NaBH4 composites

Kurko, Sandra V.; Aurora, Annalisa; Gattia, Daniele Mirabile; Contini, Vittoria; Montone, Amelia; Rašković-Lovre, Željka; Grbović-Novaković, Jasmina

(2013)

TY  - JOUR
AU  - Kurko, Sandra V.
AU  - Aurora, Annalisa
AU  - Gattia, Daniele Mirabile
AU  - Contini, Vittoria
AU  - Montone, Amelia
AU  - Rašković-Lovre, Željka
AU  - Grbović-Novaković, Jasmina
PY  - 2013
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/5689
AB  - The hydrogen sorption properties of magnesium hydride-sodium borohydride composites prepared by means of high-energy ball milling under Ar atmosphere were investigated. Mutual influence of milling time and the content of NaBH4 were studied. Microstructural and morphological analyses were carried out using X-ray Diffraction (XRD), laser scattering measurements and Scanning Electron Microscopy (SEM), while kinetic analysis and cycling were performed in a Sieverts volumetric apparatus. It has been shown that low content of NaBH4 and short milling time are beneficial for hydrogen sorption kinetics. Copyright (C) 2013, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
T2  - International Journal of Hydrogen Energy
T1  - Hydrogen sorption properties of MgH2/NaBH4 composites
VL  - 38
IS  - 27
SP  - 12140
EP  - 12145
DO  - 10.1016/j.ijhydene.2013.04.075
ER  - 
@article{
author = "Kurko, Sandra V. and Aurora, Annalisa and Gattia, Daniele Mirabile and Contini, Vittoria and Montone, Amelia and Rašković-Lovre, Željka and Grbović-Novaković, Jasmina",
year = "2013",
abstract = "The hydrogen sorption properties of magnesium hydride-sodium borohydride composites prepared by means of high-energy ball milling under Ar atmosphere were investigated. Mutual influence of milling time and the content of NaBH4 were studied. Microstructural and morphological analyses were carried out using X-ray Diffraction (XRD), laser scattering measurements and Scanning Electron Microscopy (SEM), while kinetic analysis and cycling were performed in a Sieverts volumetric apparatus. It has been shown that low content of NaBH4 and short milling time are beneficial for hydrogen sorption kinetics. Copyright (C) 2013, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.",
journal = "International Journal of Hydrogen Energy",
title = "Hydrogen sorption properties of MgH2/NaBH4 composites",
volume = "38",
number = "27",
pages = "12140-12145",
doi = "10.1016/j.ijhydene.2013.04.075"
}
Kurko, S. V., Aurora, A., Gattia, D. M., Contini, V., Montone, A., Rašković-Lovre, Ž.,& Grbović-Novaković, J.. (2013). Hydrogen sorption properties of MgH2/NaBH4 composites. in International Journal of Hydrogen Energy, 38(27), 12140-12145.
https://doi.org/10.1016/j.ijhydene.2013.04.075
Kurko SV, Aurora A, Gattia DM, Contini V, Montone A, Rašković-Lovre Ž, Grbović-Novaković J. Hydrogen sorption properties of MgH2/NaBH4 composites. in International Journal of Hydrogen Energy. 2013;38(27):12140-12145.
doi:10.1016/j.ijhydene.2013.04.075 .
Kurko, Sandra V., Aurora, Annalisa, Gattia, Daniele Mirabile, Contini, Vittoria, Montone, Amelia, Rašković-Lovre, Željka, Grbović-Novaković, Jasmina, "Hydrogen sorption properties of MgH2/NaBH4 composites" in International Journal of Hydrogen Energy, 38, no. 27 (2013):12140-12145,
https://doi.org/10.1016/j.ijhydene.2013.04.075 . .
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Changes in kinetic parameters of decomposition of MgH2 destabilized by irradiation with C2+ ions

Kurko, Sandra V.; Milanović, Igor; Milošević, Sanja S.; Rašković-Lovre, Željka; Fernandez, Jose Francisco; Ares Fernandez, Jose Ramon; Matović, Ljiljana; Grbović-Novaković, Jasmina

(2013)

TY  - JOUR
AU  - Kurko, Sandra V.
AU  - Milanović, Igor
AU  - Milošević, Sanja S.
AU  - Rašković-Lovre, Željka
AU  - Fernandez, Jose Francisco
AU  - Ares Fernandez, Jose Ramon
AU  - Matović, Ljiljana
AU  - Grbović-Novaković, Jasmina
PY  - 2013
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/5691
AB  - In attempt to improve desorption behaviour of MgH2, the influence of well-defined structural changes induced within a thin surface layer of MgH2 have been investigated. The defects were induced by 30 key C2+ ions irradiation using different fluencies ranging from 10(12)-10(16) ions/cm(2). The hydrogen desorption properties were investigated by thermal desorption spectroscopy analysis (TDS), while kinetics parameters were deduced using non-isothermal kinetic approach. The existence of multiple TDS peaks and different curve shapes indicate difference in desorption mechanism. To understand changes in the rate limiting step, shapes of all desorption peaks have been analyzed using different kinetic models. Regarding the irradiated sample, the function based on Avrami-Erofeev model with n = 4 gives the best fit over theta range from 0.3 to 0.8 while for untreated sample the best fit is obtained for Avrami-Erofeev model with n = 3. The change in mechanism can be attributed to the different way of nuclei growth. Copyright (C) 2013, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
T2  - International Journal of Hydrogen Energy
T1  - Changes in kinetic parameters of decomposition of MgH2 destabilized by irradiation with C2+ ions
VL  - 38
IS  - 27
SP  - 12199
EP  - 12206
DO  - 10.1016/j.ijhydene.2013.05.132
ER  - 
@article{
author = "Kurko, Sandra V. and Milanović, Igor and Milošević, Sanja S. and Rašković-Lovre, Željka and Fernandez, Jose Francisco and Ares Fernandez, Jose Ramon and Matović, Ljiljana and Grbović-Novaković, Jasmina",
year = "2013",
abstract = "In attempt to improve desorption behaviour of MgH2, the influence of well-defined structural changes induced within a thin surface layer of MgH2 have been investigated. The defects were induced by 30 key C2+ ions irradiation using different fluencies ranging from 10(12)-10(16) ions/cm(2). The hydrogen desorption properties were investigated by thermal desorption spectroscopy analysis (TDS), while kinetics parameters were deduced using non-isothermal kinetic approach. The existence of multiple TDS peaks and different curve shapes indicate difference in desorption mechanism. To understand changes in the rate limiting step, shapes of all desorption peaks have been analyzed using different kinetic models. Regarding the irradiated sample, the function based on Avrami-Erofeev model with n = 4 gives the best fit over theta range from 0.3 to 0.8 while for untreated sample the best fit is obtained for Avrami-Erofeev model with n = 3. The change in mechanism can be attributed to the different way of nuclei growth. Copyright (C) 2013, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.",
journal = "International Journal of Hydrogen Energy",
title = "Changes in kinetic parameters of decomposition of MgH2 destabilized by irradiation with C2+ ions",
volume = "38",
number = "27",
pages = "12199-12206",
doi = "10.1016/j.ijhydene.2013.05.132"
}
Kurko, S. V., Milanović, I., Milošević, S. S., Rašković-Lovre, Ž., Fernandez, J. F., Ares Fernandez, J. R., Matović, L.,& Grbović-Novaković, J.. (2013). Changes in kinetic parameters of decomposition of MgH2 destabilized by irradiation with C2+ ions. in International Journal of Hydrogen Energy, 38(27), 12199-12206.
https://doi.org/10.1016/j.ijhydene.2013.05.132
Kurko SV, Milanović I, Milošević SS, Rašković-Lovre Ž, Fernandez JF, Ares Fernandez JR, Matović L, Grbović-Novaković J. Changes in kinetic parameters of decomposition of MgH2 destabilized by irradiation with C2+ ions. in International Journal of Hydrogen Energy. 2013;38(27):12199-12206.
doi:10.1016/j.ijhydene.2013.05.132 .
Kurko, Sandra V., Milanović, Igor, Milošević, Sanja S., Rašković-Lovre, Željka, Fernandez, Jose Francisco, Ares Fernandez, Jose Ramon, Matović, Ljiljana, Grbović-Novaković, Jasmina, "Changes in kinetic parameters of decomposition of MgH2 destabilized by irradiation with C2+ ions" in International Journal of Hydrogen Energy, 38, no. 27 (2013):12199-12206,
https://doi.org/10.1016/j.ijhydene.2013.05.132 . .
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