TY  - CONF
AU  - Grbović Novaković,  Jasmina
AU  - Mitrović Rajić, Anđela
AU  - Pantić, T.
AU  - Milošević Govedarović, Sanja
AU  - Novaković, Nikola
AU  - Rmuš Mravik, Jelena
AU  - Paskaš-Mamula, Bojana
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12738
AB  - The main goal is to develop electrode material for the detection of traces of pesticides in food and water in a wide range of pH values. The leading idea is to use natural clay pyrophyllite to modify carbon paste electrode. SPEX Mixer/Mill 5100 is used for mechanochemical modification. The changes in the structure of pyrophyllite before and after the grinding process were studied by means of PSD, XRD, FTIR, and DTA-TG [1]. The electrochemical behavior of the sensor was followed using differential pulse stripping voltammetry (DPSV). It is shown that obtained material can be used as electrodes in electrochemical sensors for pesticide detection in a wide range of pH.
PB  - Zagreb, Croatia : Ruđer Bošković Institute
C3  - Solid-State Science & Research Meeting : Book of abstracts and programme
T1  - Pyrophyllite modified carbon-based electrode
UR  - https://hdl.handle.net/21.15107/rcub_vinar_12738
ER  - 

@conference{
author = "Grbović Novaković,  Jasmina and Mitrović Rajić, Anđela and Pantić, T. and Milošević Govedarović, Sanja and Novaković, Nikola and Rmuš Mravik, Jelena and Paskaš-Mamula, Bojana",
year = "2023",
abstract = "The main goal is to develop electrode material for the detection of traces of pesticides in food and water in a wide range of pH values. The leading idea is to use natural clay pyrophyllite to modify carbon paste electrode. SPEX Mixer/Mill 5100 is used for mechanochemical modification. The changes in the structure of pyrophyllite before and after the grinding process were studied by means of PSD, XRD, FTIR, and DTA-TG [1]. The electrochemical behavior of the sensor was followed using differential pulse stripping voltammetry (DPSV). It is shown that obtained material can be used as electrodes in electrochemical sensors for pesticide detection in a wide range of pH.",
publisher = "Zagreb, Croatia : Ruđer Bošković Institute",
journal = "Solid-State Science & Research Meeting : Book of abstracts and programme",
title = "Pyrophyllite modified carbon-based electrode",
url = "https://hdl.handle.net/21.15107/rcub_vinar_12738"
}

Grbović Novaković, J., Mitrović Rajić, A., Pantić, T., Milošević Govedarović, S., Novaković, N., Rmuš Mravik, J.,& Paskaš-Mamula, B.. (2023). Pyrophyllite modified carbon-based electrode. in Solid-State Science & Research Meeting : Book of abstracts and programme
Zagreb, Croatia : Ruđer Bošković Institute..
https://hdl.handle.net/21.15107/rcub_vinar_12738

Grbović Novaković J, Mitrović Rajić A, Pantić T, Milošević Govedarović S, Novaković N, Rmuš Mravik J, Paskaš-Mamula B. Pyrophyllite modified carbon-based electrode. in Solid-State Science & Research Meeting : Book of abstracts and programme. 2023;.
https://hdl.handle.net/21.15107/rcub_vinar_12738 .

Grbović Novaković,  Jasmina, Mitrović Rajić, Anđela, Pantić, T., Milošević Govedarović, Sanja, Novaković, Nikola, Rmuš Mravik, Jelena, Paskaš-Mamula, Bojana, "Pyrophyllite modified carbon-based electrode" in Solid-State Science & Research Meeting : Book of abstracts and programme (2023),
https://hdl.handle.net/21.15107/rcub_vinar_12738 .

TY  - CONF
AU  - Sekulić, Zorana
AU  - Babić, Bojana
AU  - Prvulović, Milica
AU  - Milanović, Igor
AU  - Tošić, Katarina
AU  - Asanović, Vanja
AU  - Novaković, Nikola
AU  - Milošević Govedarović, Sanja
AU  - Grbović Novaković, Jasmina
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12737
AB  - Hydrogen as an energy vector represents great potential, due to its high gravimetric density and low mass, as well as the fact that combustion does not emit harmful chemical byproducts. Hydrogen has the highest energy density per unit mass compared to any other fuel but a rather low energy density per unit volume. Further, hydrogen storage is a key technology for developing a hydrogen and fuel cell-based economy [1]. Metal hydrides as alternative hydrogen carriers have a wide range of performance parameters such as operating temperature, sorption kinetics, activation conditions, cyclic options, and equilibrium hydrogen pressure. These parameters can be improved or adjusted to meet the technical requirements of different applications. The most commonly used method for hydride destabilization is nanostructuring by mechanical milling which leads to a reduction in the particle and crystallite size of the MgH2 powder. Nanostructuring is often combined with catalyst addition and composite formation [2,3]. The most of research is focused on the morphological, structural, and thermodynamic effects typical for long milling times, while in this work we have followed the changes taking place under short milling times. The thermal stability of magnesium hydride is related to - changes in the crystallites and powder particle size. The analysis also considered the changes in activation energy. MgH2-M composites were prepared by mechanical milling of the as-received MgH2 powder (Alfa Aesar, 98% purity) with the addition of 2 and 5 wt.% of M (M= V, W, Mo). Mechanical milling was performed in s SPEX 5100 Mixer Mill using 8mm diameter milling ball. Samples were milled for 15-45 minutes under the inert atmosphere of argon and a ball-to-powder ratio 10:1 Figure 1. shows the kinetic curves obtained for composites with 5wt% of vanadium. To investigate the desorption process in detail, different models of solid-state kinetics were used as implemented in the code developed in our group. The ratelimiting step of the desorption reaction was determined using the iso-conversional kinetic method due to better accuracy of obtained apparent activation energies. As shown in Table 1 a decrease in apparent activation energies has been observed. It is obvious that the sorption kinetics is affected by material preparation because the reactivity of magnesium with hydrogen is strongly modified by changes in several surface parameters that govern the chemisorption, the dissociation of molecular hydrogen, and hydride nucleation
C3  - 7th MESC-IS 2023 : International Symposium on Materials for Energy Storage and Conversion
T1  - Kinetic behavior of MgH2-transition metal composites: towards hydrogen storage
UR  - https://hdl.handle.net/21.15107/rcub_vinar_12737
ER  - 

@conference{
author = "Sekulić, Zorana and Babić, Bojana and Prvulović, Milica and Milanović, Igor and Tošić, Katarina and Asanović, Vanja and Novaković, Nikola and Milošević Govedarović, Sanja and Grbović Novaković, Jasmina",
year = "2023",
abstract = "Hydrogen as an energy vector represents great potential, due to its high gravimetric density and low mass, as well as the fact that combustion does not emit harmful chemical byproducts. Hydrogen has the highest energy density per unit mass compared to any other fuel but a rather low energy density per unit volume. Further, hydrogen storage is a key technology for developing a hydrogen and fuel cell-based economy [1]. Metal hydrides as alternative hydrogen carriers have a wide range of performance parameters such as operating temperature, sorption kinetics, activation conditions, cyclic options, and equilibrium hydrogen pressure. These parameters can be improved or adjusted to meet the technical requirements of different applications. The most commonly used method for hydride destabilization is nanostructuring by mechanical milling which leads to a reduction in the particle and crystallite size of the MgH2 powder. Nanostructuring is often combined with catalyst addition and composite formation [2,3]. The most of research is focused on the morphological, structural, and thermodynamic effects typical for long milling times, while in this work we have followed the changes taking place under short milling times. The thermal stability of magnesium hydride is related to - changes in the crystallites and powder particle size. The analysis also considered the changes in activation energy. MgH2-M composites were prepared by mechanical milling of the as-received MgH2 powder (Alfa Aesar, 98% purity) with the addition of 2 and 5 wt.% of M (M= V, W, Mo). Mechanical milling was performed in s SPEX 5100 Mixer Mill using 8mm diameter milling ball. Samples were milled for 15-45 minutes under the inert atmosphere of argon and a ball-to-powder ratio 10:1 Figure 1. shows the kinetic curves obtained for composites with 5wt% of vanadium. To investigate the desorption process in detail, different models of solid-state kinetics were used as implemented in the code developed in our group. The ratelimiting step of the desorption reaction was determined using the iso-conversional kinetic method due to better accuracy of obtained apparent activation energies. As shown in Table 1 a decrease in apparent activation energies has been observed. It is obvious that the sorption kinetics is affected by material preparation because the reactivity of magnesium with hydrogen is strongly modified by changes in several surface parameters that govern the chemisorption, the dissociation of molecular hydrogen, and hydride nucleation",
journal = "7th MESC-IS 2023 : International Symposium on Materials for Energy Storage and Conversion",
title = "Kinetic behavior of MgH2-transition metal composites: towards hydrogen storage",
url = "https://hdl.handle.net/21.15107/rcub_vinar_12737"
}

Sekulić, Z., Babić, B., Prvulović, M., Milanović, I., Tošić, K., Asanović, V., Novaković, N., Milošević Govedarović, S.,& Grbović Novaković, J.. (2023). Kinetic behavior of MgH2-transition metal composites: towards hydrogen storage. in 7th MESC-IS 2023 : International Symposium on Materials for Energy Storage and Conversion.
https://hdl.handle.net/21.15107/rcub_vinar_12737

Sekulić Z, Babić B, Prvulović M, Milanović I, Tošić K, Asanović V, Novaković N, Milošević Govedarović S, Grbović Novaković J. Kinetic behavior of MgH2-transition metal composites: towards hydrogen storage. in 7th MESC-IS 2023 : International Symposium on Materials for Energy Storage and Conversion. 2023;.
https://hdl.handle.net/21.15107/rcub_vinar_12737 .

Sekulić, Zorana, Babić, Bojana, Prvulović, Milica, Milanović, Igor, Tošić, Katarina, Asanović, Vanja, Novaković, Nikola, Milošević Govedarović, Sanja, Grbović Novaković, Jasmina, "Kinetic behavior of MgH2-transition metal composites: towards hydrogen storage" in 7th MESC-IS 2023 : International Symposium on Materials for Energy Storage and Conversion (2023),
https://hdl.handle.net/21.15107/rcub_vinar_12737 .

TY  - JOUR
AU  - Pantić, Tijana
AU  - Paskaš Mamula, Bojana
AU  - Soderžnik, Žagar K.
AU  - Kurko, Sandra
AU  - Milanović, Igor
AU  - Novaković, Nikola
AU  - Šturm, S.
AU  - Drev, Sandra
AU  - Grbović-Novaković, Jasmina
AU  - Milošević Govedarović, Sanja S.
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11029
AB  - In this paper hydrogen sorption properties of Mg–V multilayer thin films are studied. Thin films are synthesized by means of RF magnetron sputtering. Further modification of material is done using low energy H ion irradiation. The hydrogen sorption properties and kinetics are assessed using TOF-ERDA, in situ optical microscopy coupled with TDS, and TEM analysis. The results of TOF-ERDA indicate full hydrogenation of samples, although the presence of oxygen throughout the film is observed. It corresponds to the formation of MgO, also confirmed by EELS results with hydride plasmon peak hindered by MgO peak. Hydrogenation causes severe damage to the surface of the film and fragmentation of the V layer. TDS and optical analysis indicate lower desorption temperatures for thinner films. The desorption onset does not depend on defects concentration. The kinetic analysis further shows that the apparent activation energy for the thinner film is two times lower.
T2  - International Journal of Hydrogen Energy
T1  - The influence of defects on hydrogen sorption from Mg–V thin films
VL  - InPress
DO  - 10.1016/j.ijhydene.2023.04.079
ER  - 

@article{
author = "Pantić, Tijana and Paskaš Mamula, Bojana and Soderžnik, Žagar K. and Kurko, Sandra and Milanović, Igor and Novaković, Nikola and Šturm, S. and Drev, Sandra and Grbović-Novaković, Jasmina and Milošević Govedarović, Sanja S.",
year = "2023",
abstract = "In this paper hydrogen sorption properties of Mg–V multilayer thin films are studied. Thin films are synthesized by means of RF magnetron sputtering. Further modification of material is done using low energy H ion irradiation. The hydrogen sorption properties and kinetics are assessed using TOF-ERDA, in situ optical microscopy coupled with TDS, and TEM analysis. The results of TOF-ERDA indicate full hydrogenation of samples, although the presence of oxygen throughout the film is observed. It corresponds to the formation of MgO, also confirmed by EELS results with hydride plasmon peak hindered by MgO peak. Hydrogenation causes severe damage to the surface of the film and fragmentation of the V layer. TDS and optical analysis indicate lower desorption temperatures for thinner films. The desorption onset does not depend on defects concentration. The kinetic analysis further shows that the apparent activation energy for the thinner film is two times lower.",
journal = "International Journal of Hydrogen Energy",
title = "The influence of defects on hydrogen sorption from Mg–V thin films",
volume = "InPress",
doi = "10.1016/j.ijhydene.2023.04.079"
}

Pantić, T., Paskaš Mamula, B., Soderžnik, Ž. K., Kurko, S., Milanović, I., Novaković, N., Šturm, S., Drev, S., Grbović-Novaković, J.,& Milošević Govedarović, S. S.. (2023). The influence of defects on hydrogen sorption from Mg–V thin films. in International Journal of Hydrogen Energy, InPress.
https://doi.org/10.1016/j.ijhydene.2023.04.079

Pantić T, Paskaš Mamula B, Soderžnik ŽK, Kurko S, Milanović I, Novaković N, Šturm S, Drev S, Grbović-Novaković J, Milošević Govedarović SS. The influence of defects on hydrogen sorption from Mg–V thin films. in International Journal of Hydrogen Energy. 2023;InPress.
doi:10.1016/j.ijhydene.2023.04.079 .

Pantić, Tijana, Paskaš Mamula, Bojana, Soderžnik, Žagar K., Kurko, Sandra, Milanović, Igor, Novaković, Nikola, Šturm, S., Drev, Sandra, Grbović-Novaković, Jasmina, Milošević Govedarović, Sanja S., "The influence of defects on hydrogen sorption from Mg–V thin films" in International Journal of Hydrogen Energy, InPress (2023),
https://doi.org/10.1016/j.ijhydene.2023.04.079 . .

TY  - JOUR
AU  - Sekulić, Zorana
AU  - Grbović Novaković, Jasmina
AU  - Babić, Bojana
AU  - Prvulović, Milica
AU  - Milanović, Igor
AU  - Novaković, Nikola
AU  - Rajnović, Dragan
AU  - Filipović, Nenad
AU  - Asanović, Vanja
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11436
AB  - The effects of catalysis using vanadium as an additive (2 and 5 wt.%) in a high-energy ball mill on composite desorption properties were examined. The influence of microstructure on the dehydration temperature and hydrogen desorption kinetics was monitored. Morphological and microstructural studies of the synthesized sample were performed by X-ray diffraction (XRD), laser particle size distribution (PSD), and scanning electron microscopy (SEM) methods, while differential scanning calorimetry (DSC) determined thermal properties. To further access amorph species in the milling blend, the absorption spectra were obtained by FTIR-ATR analysis (Fourier transform infrared spectroscopy attenuated total reflection). The results show lower apparent activation energy (Eapp) and H2 desorption temperature are obtained for milling bland with 5 wt.% added vanadium. The best explanation of hydrogen desorption reaction shows the Avrami-Erofeev model for parameter n = 4. Since the obtained value of apparent activation energy is close to the Mg-H bond-breaking energy, one can conclude that breaking this bond would be the rate-limiting step of the process.
T2  - Materials
T1  - The Catalytic Effect of Vanadium on Sorption Properties of MgH2-Based Nanocomposites Obtained Using Low Milling Time
VL  - 16
IS  - 15
SP  - 5480
DO  - 10.3390/ma16155480
ER  - 

@article{
author = "Sekulić, Zorana and Grbović Novaković, Jasmina and Babić, Bojana and Prvulović, Milica and Milanović, Igor and Novaković, Nikola and Rajnović, Dragan and Filipović, Nenad and Asanović, Vanja",
year = "2023",
abstract = "The effects of catalysis using vanadium as an additive (2 and 5 wt.%) in a high-energy ball mill on composite desorption properties were examined. The influence of microstructure on the dehydration temperature and hydrogen desorption kinetics was monitored. Morphological and microstructural studies of the synthesized sample were performed by X-ray diffraction (XRD), laser particle size distribution (PSD), and scanning electron microscopy (SEM) methods, while differential scanning calorimetry (DSC) determined thermal properties. To further access amorph species in the milling blend, the absorption spectra were obtained by FTIR-ATR analysis (Fourier transform infrared spectroscopy attenuated total reflection). The results show lower apparent activation energy (Eapp) and H2 desorption temperature are obtained for milling bland with 5 wt.% added vanadium. The best explanation of hydrogen desorption reaction shows the Avrami-Erofeev model for parameter n = 4. Since the obtained value of apparent activation energy is close to the Mg-H bond-breaking energy, one can conclude that breaking this bond would be the rate-limiting step of the process.",
journal = "Materials",
title = "The Catalytic Effect of Vanadium on Sorption Properties of MgH2-Based Nanocomposites Obtained Using Low Milling Time",
volume = "16",
number = "15",
pages = "5480",
doi = "10.3390/ma16155480"
}

Sekulić, Z., Grbović Novaković, J., Babić, B., Prvulović, M., Milanović, I., Novaković, N., Rajnović, D., Filipović, N.,& Asanović, V.. (2023). The Catalytic Effect of Vanadium on Sorption Properties of MgH2-Based Nanocomposites Obtained Using Low Milling Time. in Materials, 16(15), 5480.
https://doi.org/10.3390/ma16155480

Sekulić Z, Grbović Novaković J, Babić B, Prvulović M, Milanović I, Novaković N, Rajnović D, Filipović N, Asanović V. The Catalytic Effect of Vanadium on Sorption Properties of MgH2-Based Nanocomposites Obtained Using Low Milling Time. in Materials. 2023;16(15):5480.
doi:10.3390/ma16155480 .

Sekulić, Zorana, Grbović Novaković, Jasmina, Babić, Bojana, Prvulović, Milica, Milanović, Igor, Novaković, Nikola, Rajnović, Dragan, Filipović, Nenad, Asanović, Vanja, "The Catalytic Effect of Vanadium on Sorption Properties of MgH2-Based Nanocomposites Obtained Using Low Milling Time" in Materials, 16, no. 15 (2023):5480,
https://doi.org/10.3390/ma16155480 . .

TY  - CONF
AU  - Paskaš Mamula, Bojana
AU  - Dragojlović, Milijana
AU  - Batalović, Katarina
AU  - Kuzmanović, Bojana
AU  - Medić Ilić, Mirjana
AU  - Novaković, Nikola
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11242
AB  - The electronic structures of lightweight binary hydrides MgH2 and AlH3 doped with 3d transition metals (TM=Sc, Ti, Mn, and Cu) were investigated using first-principles calculations. The influence of 3d states of TM was clearly visible from electronic structure calculations. Doping of these systems has a favorable influence on hydrogen desorption energies of both systems, decreasing it in the case of MgH2 for all TM and increasing it in metastable AlH3 when doped with Sc and Ti.
AB  - Elektronske strukture lakih binarnih hidrida MgH2 i AlH3 dopiranih 3d prelaznim metalima (PM=Sc, Ti, Mn i Cu ) su ispitane primenom proračuna iz prvih principa. Na osnovu proračuna elektronske strukture jasno je vidljiv uticaj 3d stanja PM. Dopiranje ovih sistema ima povoljan uticaj na energije desorpcije vodonika oba sistema, smanjujući je u slučaju MgH2 za sve PM i povećavajući je u metastabilnom AlH3 kada se dopira sa Sc i Ti.
PB  - Beograd : Serbian Society of Corrosion and Materials Protection UISKOZAM = Udruženje inženjera Srbije za koroziju i zaštitu materijala UISKOZAM
C3  - XXIV YuCorr International Conference : Proceedings
T1  - DFT study of MgH2 and AlH3 hydrides doped with 3d transition metals
T1  - DFT studija MgH2 i AlH3 hidrida dopiranih 3d prelaznim metalima
SP  - 196
EP  - 202
UR  - https://hdl.handle.net/21.15107/rcub_vinar_11242
ER  - 

@conference{
author = "Paskaš Mamula, Bojana and Dragojlović, Milijana and Batalović, Katarina and Kuzmanović, Bojana and Medić Ilić, Mirjana and Novaković, Nikola",
year = "2023",
abstract = "The electronic structures of lightweight binary hydrides MgH2 and AlH3 doped with 3d transition metals (TM=Sc, Ti, Mn, and Cu) were investigated using first-principles calculations. The influence of 3d states of TM was clearly visible from electronic structure calculations. Doping of these systems has a favorable influence on hydrogen desorption energies of both systems, decreasing it in the case of MgH2 for all TM and increasing it in metastable AlH3 when doped with Sc and Ti., Elektronske strukture lakih binarnih hidrida MgH2 i AlH3 dopiranih 3d prelaznim metalima (PM=Sc, Ti, Mn i Cu ) su ispitane primenom proračuna iz prvih principa. Na osnovu proračuna elektronske strukture jasno je vidljiv uticaj 3d stanja PM. Dopiranje ovih sistema ima povoljan uticaj na energije desorpcije vodonika oba sistema, smanjujući je u slučaju MgH2 za sve PM i povećavajući je u metastabilnom AlH3 kada se dopira sa Sc i Ti.",
publisher = "Beograd : Serbian Society of Corrosion and Materials Protection UISKOZAM = Udruženje inženjera Srbije za koroziju i zaštitu materijala UISKOZAM",
journal = "XXIV YuCorr International Conference : Proceedings",
title = "DFT study of MgH2 and AlH3 hydrides doped with 3d transition metals, DFT studija MgH2 i AlH3 hidrida dopiranih 3d prelaznim metalima",
pages = "196-202",
url = "https://hdl.handle.net/21.15107/rcub_vinar_11242"
}

Paskaš Mamula, B., Dragojlović, M., Batalović, K., Kuzmanović, B., Medić Ilić, M.,& Novaković, N.. (2023). DFT study of MgH2 and AlH3 hydrides doped with 3d transition metals. in XXIV YuCorr International Conference : Proceedings
Beograd : Serbian Society of Corrosion and Materials Protection UISKOZAM = Udruženje inženjera Srbije za koroziju i zaštitu materijala UISKOZAM., 196-202.
https://hdl.handle.net/21.15107/rcub_vinar_11242

Paskaš Mamula B, Dragojlović M, Batalović K, Kuzmanović B, Medić Ilić M, Novaković N. DFT study of MgH2 and AlH3 hydrides doped with 3d transition metals. in XXIV YuCorr International Conference : Proceedings. 2023;:196-202.
https://hdl.handle.net/21.15107/rcub_vinar_11242 .

Paskaš Mamula, Bojana, Dragojlović, Milijana, Batalović, Katarina, Kuzmanović, Bojana, Medić Ilić, Mirjana, Novaković, Nikola, "DFT study of MgH2 and AlH3 hydrides doped with 3d transition metals" in XXIV YuCorr International Conference : Proceedings (2023):196-202,
https://hdl.handle.net/21.15107/rcub_vinar_11242 .

TY  - JOUR
AU  - Radisavljević, Ivana
AU  - Novaković, Nikola
AU  - Mahnke, Heinz-Eberhard
AU  - Romčević, Nebojša Ž.
AU  - Mitrić, Miodrag
AU  - Kuzmanović, Bojana
AU  - Ivanović, Nenad
PY  - 2022
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10268
AB  - As an extension of our previous studies of multi-component semiconductors doped with magnetic impurities, this paper gives a comprehensive insight into electronic and local structure of crystalline semiconductors Cd0.98Co0.02Se, Cd0.98Co0.02Se0.9S0.1, and Cd0.98Co0.02Se0.9Te0.1. Detailed characterization of Co and Se local environment and overall influence of Co and S(Te) (co)doping on the host crystal structure has been obtained by X-ray absorption fine structure (XAFS) technique and electronic structure calculations. Important structural information on bond lengths and disorder parameters were extracted from the extended region of the absorption spectra, while the relationships between electronic and local structures were determined from the characteristic features appearing in the near-edge spectral region. The influence of various structural defects on local electronic properties, charge transfer and atomic interactions has been studied by theoretical modeling of XAFS spectra and calculations of local density of electronic states. The obtained findings offer possible means for improvement and extension of the practical application of CdSe-based materials by adjusting the details of their electronic structure.
T2  - Journal of the Physical Society of Japan
T1  - Survey of Electronic and Local Structural Properties of Cd1−xCoxSe1−yTe(S)y by XAFS
VL  - 91
IS  - 5
SP  - 054801
DO  - 10.7566/JPSJ.91.054801
ER  - 

@article{
author = "Radisavljević, Ivana and Novaković, Nikola and Mahnke, Heinz-Eberhard and Romčević, Nebojša Ž. and Mitrić, Miodrag and Kuzmanović, Bojana and Ivanović, Nenad",
year = "2022",
abstract = "As an extension of our previous studies of multi-component semiconductors doped with magnetic impurities, this paper gives a comprehensive insight into electronic and local structure of crystalline semiconductors Cd0.98Co0.02Se, Cd0.98Co0.02Se0.9S0.1, and Cd0.98Co0.02Se0.9Te0.1. Detailed characterization of Co and Se local environment and overall influence of Co and S(Te) (co)doping on the host crystal structure has been obtained by X-ray absorption fine structure (XAFS) technique and electronic structure calculations. Important structural information on bond lengths and disorder parameters were extracted from the extended region of the absorption spectra, while the relationships between electronic and local structures were determined from the characteristic features appearing in the near-edge spectral region. The influence of various structural defects on local electronic properties, charge transfer and atomic interactions has been studied by theoretical modeling of XAFS spectra and calculations of local density of electronic states. The obtained findings offer possible means for improvement and extension of the practical application of CdSe-based materials by adjusting the details of their electronic structure.",
journal = "Journal of the Physical Society of Japan",
title = "Survey of Electronic and Local Structural Properties of Cd1−xCoxSe1−yTe(S)y by XAFS",
volume = "91",
number = "5",
pages = "054801",
doi = "10.7566/JPSJ.91.054801"
}

Radisavljević, I., Novaković, N., Mahnke, H., Romčević, N. Ž., Mitrić, M., Kuzmanović, B.,& Ivanović, N.. (2022). Survey of Electronic and Local Structural Properties of Cd1−xCoxSe1−yTe(S)y by XAFS. in Journal of the Physical Society of Japan, 91(5), 054801.
https://doi.org/10.7566/JPSJ.91.054801

Radisavljević I, Novaković N, Mahnke H, Romčević NŽ, Mitrić M, Kuzmanović B, Ivanović N. Survey of Electronic and Local Structural Properties of Cd1−xCoxSe1−yTe(S)y by XAFS. in Journal of the Physical Society of Japan. 2022;91(5):054801.
doi:10.7566/JPSJ.91.054801 .

Radisavljević, Ivana, Novaković, Nikola, Mahnke, Heinz-Eberhard, Romčević, Nebojša Ž., Mitrić, Miodrag, Kuzmanović, Bojana, Ivanović, Nenad, "Survey of Electronic and Local Structural Properties of Cd1−xCoxSe1−yTe(S)y by XAFS" in Journal of the Physical Society of Japan, 91, no. 5 (2022):054801,
https://doi.org/10.7566/JPSJ.91.054801 . .

TY  - JOUR
AU  - Yang, Fusheng
AU  - Wang, Jing
AU  - Zhang, Yang
AU  - Wu, Zhen
AU  - Zhang, Zaoxiao
AU  - Zhao, Fengqi
AU  - Huot, Jacques
AU  - Grbović-Novaković, Jasmina
AU  - Novaković, Nikola
PY  - 2022
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10168
AB  - High entropy alloys (HEA) represent a kind of materials with unique structural and functional properties, and have attracted wide attentions in many fields including hydrogen storage. Due to the huge diversity in the composition of HEAs, novel hydrogen storage materials with superior comprehensive performance are expected to be developed following the concept, with some notable progress made in the past decade. In this study, the present research status in HEAs for hydrogen storage is summarized from the aspects of theoretical guide, composition and preparation, microstructure and hydrogen storage properties. Moreover, the key issues in future development and possible application scenarios are analyzed.
T2  - International Journal of Hydrogen Energy
T1  - Recent progress on the development of high entropy alloys (HEAs) for solid hydrogen storage: A review
VL  - 47
IS  - 21
SP  - 11236
EP  - 11249
DO  - 10.1016/j.ijhydene.2022.01.141
ER  - 

@article{
author = "Yang, Fusheng and Wang, Jing and Zhang, Yang and Wu, Zhen and Zhang, Zaoxiao and Zhao, Fengqi and Huot, Jacques and Grbović-Novaković, Jasmina and Novaković, Nikola",
year = "2022",
abstract = "High entropy alloys (HEA) represent a kind of materials with unique structural and functional properties, and have attracted wide attentions in many fields including hydrogen storage. Due to the huge diversity in the composition of HEAs, novel hydrogen storage materials with superior comprehensive performance are expected to be developed following the concept, with some notable progress made in the past decade. In this study, the present research status in HEAs for hydrogen storage is summarized from the aspects of theoretical guide, composition and preparation, microstructure and hydrogen storage properties. Moreover, the key issues in future development and possible application scenarios are analyzed.",
journal = "International Journal of Hydrogen Energy",
title = "Recent progress on the development of high entropy alloys (HEAs) for solid hydrogen storage: A review",
volume = "47",
number = "21",
pages = "11236-11249",
doi = "10.1016/j.ijhydene.2022.01.141"
}

Yang, F., Wang, J., Zhang, Y., Wu, Z., Zhang, Z., Zhao, F., Huot, J., Grbović-Novaković, J.,& Novaković, N.. (2022). Recent progress on the development of high entropy alloys (HEAs) for solid hydrogen storage: A review. in International Journal of Hydrogen Energy, 47(21), 11236-11249.
https://doi.org/10.1016/j.ijhydene.2022.01.141

Yang F, Wang J, Zhang Y, Wu Z, Zhang Z, Zhao F, Huot J, Grbović-Novaković J, Novaković N. Recent progress on the development of high entropy alloys (HEAs) for solid hydrogen storage: A review. in International Journal of Hydrogen Energy. 2022;47(21):11236-11249.
doi:10.1016/j.ijhydene.2022.01.141 .

Yang, Fusheng, Wang, Jing, Zhang, Yang, Wu, Zhen, Zhang, Zaoxiao, Zhao, Fengqi, Huot, Jacques, Grbović-Novaković, Jasmina, Novaković, Nikola, "Recent progress on the development of high entropy alloys (HEAs) for solid hydrogen storage: A review" in International Journal of Hydrogen Energy, 47, no. 21 (2022):11236-11249,
https://doi.org/10.1016/j.ijhydene.2022.01.141 . .

TY  - CONF
AU  - Paskaš Mamula, Bojana
AU  - Milanović, Igor
AU  - Kuzmanović, Bojana
AU  - Biliškov, Nikola
AU  - Novaković, Nikola
PY  - 2021
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11297
AB  - Ammonia borane – AB (formula: NH3-BH3) has been known for its extraordinary gravimetric hydrogen capacity (nearly 20 wt.%) and is therefore considered as promising hydrogen storage material. However, there are several drawbacks to overcome, namely dehydrogenation kinetics is rather poor, and three-step desorption releases contaminated hydrogen with each subsequent step requiring significantly higher temperature. In addition, there are detrimental by-products (e.g., borasine, diborane) that also limit its practical application. Eliminating at least borasine release is possible through the reaction of alkali metal (M=Li, Na) with AB and producing monometallic amidoborane salts MAB. In this paper, electronic structure calculations and the analysis of charge density topology of pure AB, lithium, and sodium amidoboranes were performed in order to investigate cohesion and bonding nature. The influence of the specific alkali metal substitution will be assessed using calculated IR and Raman spectra and analysis of vibrational bands in comparison to pure AB.
PB  - Belgrade : Faculty of Physical Chemistry, University of Belgrade
C3  - 4IMMSERA - 4th International Meeting on Materials Science for Energy Related Applications
T1  - Interaction of light alkali metals with ammonia borane: a theoretical study
SP  - 17
UR  - https://hdl.handle.net/21.15107/rcub_vinar_11297
ER  - 

@conference{
author = "Paskaš Mamula, Bojana and Milanović, Igor and Kuzmanović, Bojana and Biliškov, Nikola and Novaković, Nikola",
year = "2021",
abstract = "Ammonia borane – AB (formula: NH3-BH3) has been known for its extraordinary gravimetric hydrogen capacity (nearly 20 wt.%) and is therefore considered as promising hydrogen storage material. However, there are several drawbacks to overcome, namely dehydrogenation kinetics is rather poor, and three-step desorption releases contaminated hydrogen with each subsequent step requiring significantly higher temperature. In addition, there are detrimental by-products (e.g., borasine, diborane) that also limit its practical application. Eliminating at least borasine release is possible through the reaction of alkali metal (M=Li, Na) with AB and producing monometallic amidoborane salts MAB. In this paper, electronic structure calculations and the analysis of charge density topology of pure AB, lithium, and sodium amidoboranes were performed in order to investigate cohesion and bonding nature. The influence of the specific alkali metal substitution will be assessed using calculated IR and Raman spectra and analysis of vibrational bands in comparison to pure AB.",
publisher = "Belgrade : Faculty of Physical Chemistry, University of Belgrade",
journal = "4IMMSERA - 4th International Meeting on Materials Science for Energy Related Applications",
title = "Interaction of light alkali metals with ammonia borane: a theoretical study",
pages = "17",
url = "https://hdl.handle.net/21.15107/rcub_vinar_11297"
}

Paskaš Mamula, B., Milanović, I., Kuzmanović, B., Biliškov, N.,& Novaković, N.. (2021). Interaction of light alkali metals with ammonia borane: a theoretical study. in 4IMMSERA - 4th International Meeting on Materials Science for Energy Related Applications
Belgrade : Faculty of Physical Chemistry, University of Belgrade., 17.
https://hdl.handle.net/21.15107/rcub_vinar_11297

Paskaš Mamula B, Milanović I, Kuzmanović B, Biliškov N, Novaković N. Interaction of light alkali metals with ammonia borane: a theoretical study. in 4IMMSERA - 4th International Meeting on Materials Science for Energy Related Applications. 2021;:17.
https://hdl.handle.net/21.15107/rcub_vinar_11297 .

Paskaš Mamula, Bojana, Milanović, Igor, Kuzmanović, Bojana, Biliškov, Nikola, Novaković, Nikola, "Interaction of light alkali metals with ammonia borane: a theoretical study" in 4IMMSERA - 4th International Meeting on Materials Science for Energy Related Applications (2021):17,
https://hdl.handle.net/21.15107/rcub_vinar_11297 .

TY  - CONF
AU  - Medić Ilić, Mirjana
AU  - Paskaš Mamula, Bojana
AU  - Kuzmanović, Bojana
AU  - Radaković, Jana
AU  - Novaković, Nikola
AU  - Mitrović, Anđela
AU  - Grbović Novaković, Jasmina
PY  - 2021
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11305
PB  - Zagreb : "Ruđer Bošković" Institute
C3  - Solid-State Science & Research 2021 : Book of Abstracts and Program
C3  - Solid-State Science & Research Meeting
T1  - Improvement of Hydrogen Storage Properties of MgH2 by NaNH2 addition
SP  - 69
EP  - 69
EP  - 
UR  - https://hdl.handle.net/21.15107/rcub_vinar_11305
ER  - 

@conference{
author = "Medić Ilić, Mirjana and Paskaš Mamula, Bojana and Kuzmanović, Bojana and Radaković, Jana and Novaković, Nikola and Mitrović, Anđela and Grbović Novaković, Jasmina",
year = "2021",
publisher = "Zagreb : "Ruđer Bošković" Institute",
journal = "Solid-State Science & Research 2021 : Book of Abstracts and Program, Solid-State Science & Research Meeting",
title = "Improvement of Hydrogen Storage Properties of MgH2 by NaNH2 addition",
pages = "69-69-",
url = "https://hdl.handle.net/21.15107/rcub_vinar_11305"
}

Medić Ilić, M., Paskaš Mamula, B., Kuzmanović, B., Radaković, J., Novaković, N., Mitrović, A.,& Grbović Novaković, J.. (2021). Improvement of Hydrogen Storage Properties of MgH2 by NaNH2 addition. in Solid-State Science & Research 2021 : Book of Abstracts and Program
Zagreb : "Ruđer Bošković" Institute., 69-69.
https://hdl.handle.net/21.15107/rcub_vinar_11305

Medić Ilić M, Paskaš Mamula B, Kuzmanović B, Radaković J, Novaković N, Mitrović A, Grbović Novaković J. Improvement of Hydrogen Storage Properties of MgH2 by NaNH2 addition. in Solid-State Science & Research 2021 : Book of Abstracts and Program. 2021;:69-69.
https://hdl.handle.net/21.15107/rcub_vinar_11305 .

Medić Ilić, Mirjana, Paskaš Mamula, Bojana, Kuzmanović, Bojana, Radaković, Jana, Novaković, Nikola, Mitrović, Anđela, Grbović Novaković, Jasmina, "Improvement of Hydrogen Storage Properties of MgH2 by NaNH2 addition" in Solid-State Science & Research 2021 : Book of Abstracts and Program (2021):69-69,
https://hdl.handle.net/21.15107/rcub_vinar_11305 .

TY  - JOUR
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  - 

@article{
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 . .

TY  - JOUR
AU  - Kurko, Sandra V.
AU  - Paskaš Mamula, Bojana
AU  - Rmuš, Jelena
AU  - Grbović-Novaković, Jasmina
AU  - Novaković, Nikola
PY  - 2020
UR  - https://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 . .

TY  - JOUR
AU  - Radisavljević, Ivana
AU  - Novaković, Nikola
AU  - Mahnke, Heinz-Eberhard
AU  - Andrić, Velibor
AU  - Kurko, Sandra V.
AU  - Milivojević, Dušan
AU  - Romčević, Nebojša Ž.
AU  - Ivanović, Nenad
PY  - 2019
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8004
AB  - Paper presents detailed studies of local and electronic structure around Fe in Cd0.97Fe0.03Te, Cd0.98Fe0.02Te0.97Se0.03 and Cd0.99Fe0.01Te0.91S0.09 multinary chalcogenides by means of X–ray absorption fine structure (XAFS), X–ray magnetic circular dichroism (XMCD) and electron paramagnetic resonance (EPR) measurements. In addition, electronic consequences of Fe incorporation into CdTe semiconductor host were studied by means of first principles calculations. In order to improve accuracy of the calculated total energies, the band gaps and the band edge positions, special attention is paid to the treatment of exchange–correlation interaction and the description of highly localized Fe 3d–states. Also, the Bader theory of the topological properties of the electron charge density is used to access details of the nature, strength and distribution of the (next) nearest neighbour bonds. Local and electronic structure around Fe in Cd0.97Fe0.03Te and Cd0.98Fe0.02Te0.97Se0.03 systems have been found to exhibit similar characteristics, since the first coordination sphere around Fe comprises four Te atoms located at approximately the same distance. In Cd0.99Fe0.01Te0.91S0.09 system, however, local bimodal distribution of distances has been revealed, with one Fe–Te bond replaced with much shorter Fe–S bond, resulting in much stronger crystal–field. Along with the crystal field effect, the spin–orbit interaction has proven to play decisive role in determining the nature of Fe doped CdTe systems. While the systems with higher Fe concentrations (25 at.%) are intrinsic insulators, in systems with only 3.125 at.% Fe one spin channel contributes to the density of states at the Fermi level, which makes them suitable for spin selective electronic transport applications. © 2018 Elsevier B.V.
T2  - Journal of Alloys and Compounds
T1  - Survey of electronic properties and local structures around Fe in selected multinary chalcogenides
VL  - 782
SP  - 160
EP  - 169
DO  - 10.1016/j.jallcom.2018.12.167
ER  - 

@article{
author = "Radisavljević, Ivana and Novaković, Nikola and Mahnke, Heinz-Eberhard and Andrić, Velibor and Kurko, Sandra V. and Milivojević, Dušan and Romčević, Nebojša Ž. and Ivanović, Nenad",
year = "2019",
abstract = "Paper presents detailed studies of local and electronic structure around Fe in Cd0.97Fe0.03Te, Cd0.98Fe0.02Te0.97Se0.03 and Cd0.99Fe0.01Te0.91S0.09 multinary chalcogenides by means of X–ray absorption fine structure (XAFS), X–ray magnetic circular dichroism (XMCD) and electron paramagnetic resonance (EPR) measurements. In addition, electronic consequences of Fe incorporation into CdTe semiconductor host were studied by means of first principles calculations. In order to improve accuracy of the calculated total energies, the band gaps and the band edge positions, special attention is paid to the treatment of exchange–correlation interaction and the description of highly localized Fe 3d–states. Also, the Bader theory of the topological properties of the electron charge density is used to access details of the nature, strength and distribution of the (next) nearest neighbour bonds. Local and electronic structure around Fe in Cd0.97Fe0.03Te and Cd0.98Fe0.02Te0.97Se0.03 systems have been found to exhibit similar characteristics, since the first coordination sphere around Fe comprises four Te atoms located at approximately the same distance. In Cd0.99Fe0.01Te0.91S0.09 system, however, local bimodal distribution of distances has been revealed, with one Fe–Te bond replaced with much shorter Fe–S bond, resulting in much stronger crystal–field. Along with the crystal field effect, the spin–orbit interaction has proven to play decisive role in determining the nature of Fe doped CdTe systems. While the systems with higher Fe concentrations (25 at.%) are intrinsic insulators, in systems with only 3.125 at.% Fe one spin channel contributes to the density of states at the Fermi level, which makes them suitable for spin selective electronic transport applications. © 2018 Elsevier B.V.",
journal = "Journal of Alloys and Compounds",
title = "Survey of electronic properties and local structures around Fe in selected multinary chalcogenides",
volume = "782",
pages = "160-169",
doi = "10.1016/j.jallcom.2018.12.167"
}

Radisavljević, I., Novaković, N., Mahnke, H., Andrić, V., Kurko, S. V., Milivojević, D., Romčević, N. Ž.,& Ivanović, N.. (2019). Survey of electronic properties and local structures around Fe in selected multinary chalcogenides. in Journal of Alloys and Compounds, 782, 160-169.
https://doi.org/10.1016/j.jallcom.2018.12.167

Radisavljević I, Novaković N, Mahnke H, Andrić V, Kurko SV, Milivojević D, Romčević NŽ, Ivanović N. Survey of electronic properties and local structures around Fe in selected multinary chalcogenides. in Journal of Alloys and Compounds. 2019;782:160-169.
doi:10.1016/j.jallcom.2018.12.167 .

Radisavljević, Ivana, Novaković, Nikola, Mahnke, Heinz-Eberhard, Andrić, Velibor, Kurko, Sandra V., Milivojević, Dušan, Romčević, Nebojša Ž., Ivanović, Nenad, "Survey of electronic properties and local structures around Fe in selected multinary chalcogenides" in Journal of Alloys and Compounds, 782 (2019):160-169,
https://doi.org/10.1016/j.jallcom.2018.12.167 . .

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  - https://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 . .

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  - https://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 . .

TY  - CONF
AU  - Bavrina, Olga O.
AU  - Shelyapina, Marina
AU  - Fruchart, Daniel
AU  - Novaković, Nikola
PY  - 2019
UR  - https://www.scientific.net/SSP.289.205
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8363
AB  - Here we report on the results of our theoretical study of hydrogen localization and motion in disordered bcc Ti-V-Cr alloys. The calculations have been carried out within a DFT supercell approach for a certain composition, namely Ti 0 . 33 V 0 . 27 Cr 0 . 4 for H/M = 1/32. It was found that hydrogen is localized in highly distorted tetrahedral sites formed by different metal species. H atoms are displaced towards titanium. The estimation of the hydrogen diffusion parameters provides the activation energy value of 0.126 eV and the diffusion coefficient at 294 K equal to 1.9 10 - 10 m/s 2 that is in good agreement with available experimental data.
PB  - Trans Tech Publications Ltd
C3  - Solid State Phenomena
T1  - DFT Calculations to Study Hydrogen Localization and Diffusion in Disordered Bcc Ti-V-Cr Alloys
VL  - 289
SP  - 205
EP  - 211
DO  - 10.4028/www.scientific.net/SSP.289.205
ER  - 

@conference{
author = "Bavrina, Olga O. and Shelyapina, Marina and Fruchart, Daniel and Novaković, Nikola",
year = "2019",
abstract = "Here we report on the results of our theoretical study of hydrogen localization and motion in disordered bcc Ti-V-Cr alloys. The calculations have been carried out within a DFT supercell approach for a certain composition, namely Ti 0 . 33 V 0 . 27 Cr 0 . 4 for H/M = 1/32. It was found that hydrogen is localized in highly distorted tetrahedral sites formed by different metal species. H atoms are displaced towards titanium. The estimation of the hydrogen diffusion parameters provides the activation energy value of 0.126 eV and the diffusion coefficient at 294 K equal to 1.9 10 - 10 m/s 2 that is in good agreement with available experimental data.",
publisher = "Trans Tech Publications Ltd",
journal = "Solid State Phenomena",
title = "DFT Calculations to Study Hydrogen Localization and Diffusion in Disordered Bcc Ti-V-Cr Alloys",
volume = "289",
pages = "205-211",
doi = "10.4028/www.scientific.net/SSP.289.205"
}

Bavrina, O. O., Shelyapina, M., Fruchart, D.,& Novaković, N.. (2019). DFT Calculations to Study Hydrogen Localization and Diffusion in Disordered Bcc Ti-V-Cr Alloys. in Solid State Phenomena
Trans Tech Publications Ltd., 289, 205-211.
https://doi.org/10.4028/www.scientific.net/SSP.289.205

Bavrina OO, Shelyapina M, Fruchart D, Novaković N. DFT Calculations to Study Hydrogen Localization and Diffusion in Disordered Bcc Ti-V-Cr Alloys. in Solid State Phenomena. 2019;289:205-211.
doi:10.4028/www.scientific.net/SSP.289.205 .

Bavrina, Olga O., Shelyapina, Marina, Fruchart, Daniel, Novaković, Nikola, "DFT Calculations to Study Hydrogen Localization and Diffusion in Disordered Bcc Ti-V-Cr Alloys" in Solid State Phenomena, 289 (2019):205-211,
https://doi.org/10.4028/www.scientific.net/SSP.289.205 . .

TY  - CONF
AU  - Paskaš Mamula, Bojana
AU  - Grbović Novaković, Jasmina
AU  - Milanović, Igor
AU  - Kuzmanović, Bojana
AU  - Biliškov, Nikola
AU  - Novaković, Nikola
PY  - 2018
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11295
PB  - Belgrade : Vinča Institue of Nuclear Sciences, University of Belgrade : Hydrogen Economy Initiative Serbia
C3  - 3rd International Symposium on Materials for Energy Storage and Conversion : Program & Book of Abstracts
T1  - Interaction of amidoborane molecular chains with alkali metals: a theoretical study
SP  - 100
EP  - 100
UR  - https://hdl.handle.net/21.15107/rcub_vinar_11295
ER  - 

@conference{
author = "Paskaš Mamula, Bojana and Grbović Novaković, Jasmina and Milanović, Igor and Kuzmanović, Bojana and Biliškov, Nikola and Novaković, Nikola",
year = "2018",
publisher = "Belgrade : Vinča Institue of Nuclear Sciences, University of Belgrade : Hydrogen Economy Initiative Serbia",
journal = "3rd International Symposium on Materials for Energy Storage and Conversion : Program & Book of Abstracts",
title = "Interaction of amidoborane molecular chains with alkali metals: a theoretical study",
pages = "100-100",
url = "https://hdl.handle.net/21.15107/rcub_vinar_11295"
}

Paskaš Mamula, B., Grbović Novaković, J., Milanović, I., Kuzmanović, B., Biliškov, N.,& Novaković, N.. (2018). Interaction of amidoborane molecular chains with alkali metals: a theoretical study. in 3rd International Symposium on Materials for Energy Storage and Conversion : Program & Book of Abstracts
Belgrade : Vinča Institue of Nuclear Sciences, University of Belgrade : Hydrogen Economy Initiative Serbia., 100-100.
https://hdl.handle.net/21.15107/rcub_vinar_11295

Paskaš Mamula B, Grbović Novaković J, Milanović I, Kuzmanović B, Biliškov N, Novaković N. Interaction of amidoborane molecular chains with alkali metals: a theoretical study. in 3rd International Symposium on Materials for Energy Storage and Conversion : Program & Book of Abstracts. 2018;:100-100.
https://hdl.handle.net/21.15107/rcub_vinar_11295 .

Paskaš Mamula, Bojana, Grbović Novaković, Jasmina, Milanović, Igor, Kuzmanović, Bojana, Biliškov, Nikola, Novaković, Nikola, "Interaction of amidoborane molecular chains with alkali metals: a theoretical study" in 3rd International Symposium on Materials for Energy Storage and Conversion : Program & Book of Abstracts (2018):100-100,
https://hdl.handle.net/21.15107/rcub_vinar_11295 .

TY  - CONF
AU  - Novaković, Nikola
AU  - Milošević Govedarović, Sanja S.
AU  - Paskaš Mamula, Bojana
AU  - Kurko, Sandra
AU  - Pantić, Tijana
AU  - Medić-Ilić, Mirjana
AU  - Grbović-Novaković, Jasmina
PY  - 2018
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10879
AB  - Magnesium hydride (MgH2 ) is one of the most favorable hydrogen storage materials because it is directly formed from the reaction of Mg metal with gaseous hydrogen while reaching a high mass capacity (7.6 wt %). However, the sorption reaction is too slow for practical use and needs higher temperature than 300 °C for hydrogen sorption reactions. The hydrogen storage properties can be tailored by addition of small amount of transition metal oxides (TiO2,VO2 ). In order to understand the processes that occurred during sorption reaction we have used both theoretical and experimental approach to study reaction mechanism in powder and thin films materials. Processes taking place during hydrogen desorption from Mg/MgH2 thin films upon modification either by TiO2 capped layer or by ion irradiation were also investigated. Irradiation was used to produce controlled point defects quantity with well-defined 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. Addition of VO2 to powder milling bland dramatically improves the kinetics of sorption reaction, It is worth to notice that the full charge/discharge is achieved at relatively low temperatures.
PB  - Belgrade : Serbian Ceramic Society
C3  - Advanced Ceramics and Application : 7th Serbian Ceramic Society Conference : program and the book of abstracts; September 17-19, 2018; Belgrade
T1  - Interaction of oxide ceramics with metal hydrides
SP  - 60
EP  - 61
UR  - https://hdl.handle.net/21.15107/rcub_vinar_10879
ER  - 

@conference{
author = "Novaković, Nikola and Milošević Govedarović, Sanja S. and Paskaš Mamula, Bojana and Kurko, Sandra and Pantić, Tijana and Medić-Ilić, Mirjana and Grbović-Novaković, Jasmina",
year = "2018",
abstract = "Magnesium hydride (MgH2 ) is one of the most favorable hydrogen storage materials because it is directly formed from the reaction of Mg metal with gaseous hydrogen while reaching a high mass capacity (7.6 wt %). However, the sorption reaction is too slow for practical use and needs higher temperature than 300 °C for hydrogen sorption reactions. The hydrogen storage properties can be tailored by addition of small amount of transition metal oxides (TiO2,VO2 ). In order to understand the processes that occurred during sorption reaction we have used both theoretical and experimental approach to study reaction mechanism in powder and thin films materials. Processes taking place during hydrogen desorption from Mg/MgH2 thin films upon modification either by TiO2 capped layer or by ion irradiation were also investigated. Irradiation was used to produce controlled point defects quantity with well-defined 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. Addition of VO2 to powder milling bland dramatically improves the kinetics of sorption reaction, It is worth to notice that the full charge/discharge is achieved at relatively low temperatures.",
publisher = "Belgrade : Serbian Ceramic Society",
journal = "Advanced Ceramics and Application : 7th Serbian Ceramic Society Conference : program and the book of abstracts; September 17-19, 2018; Belgrade",
title = "Interaction of oxide ceramics with metal hydrides",
pages = "60-61",
url = "https://hdl.handle.net/21.15107/rcub_vinar_10879"
}

Novaković, N., Milošević Govedarović, S. S., Paskaš Mamula, B., Kurko, S., Pantić, T., Medić-Ilić, M.,& Grbović-Novaković, J.. (2018). Interaction of oxide ceramics with metal hydrides. in Advanced Ceramics and Application : 7th Serbian Ceramic Society Conference : program and the book of abstracts; September 17-19, 2018; Belgrade
Belgrade : Serbian Ceramic Society., 60-61.
https://hdl.handle.net/21.15107/rcub_vinar_10879

Novaković N, Milošević Govedarović SS, Paskaš Mamula B, Kurko S, Pantić T, Medić-Ilić M, Grbović-Novaković J. Interaction of oxide ceramics with metal hydrides. in Advanced Ceramics and Application : 7th Serbian Ceramic Society Conference : program and the book of abstracts; September 17-19, 2018; Belgrade. 2018;:60-61.
https://hdl.handle.net/21.15107/rcub_vinar_10879 .

Novaković, Nikola, Milošević Govedarović, Sanja S., Paskaš Mamula, Bojana, Kurko, Sandra, Pantić, Tijana, Medić-Ilić, Mirjana, Grbović-Novaković, Jasmina, "Interaction of oxide ceramics with metal hydrides" in Advanced Ceramics and Application : 7th Serbian Ceramic Society Conference : program and the book of abstracts; September 17-19, 2018; Belgrade (2018):60-61,
https://hdl.handle.net/21.15107/rcub_vinar_10879 .

TY  - JOUR
AU  - Paskaš Mamula, Bojana
AU  - Kuzmanović, Bojana
AU  - Medić-Ilić, Mirjana
AU  - Ivanović, Nenad
AU  - Novaković, Nikola
PY  - 2018
UR  - https://linkinghub.elsevier.com/retrieve/pii/S0921452618304009
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/7718
AB  - The ability of Bader's charge density topology analysis to explain various material properties has been examined for simple ionic systems of alkali halides and alkali hydrides. It was established that despite the fact that most of them share the same rock salt crystal structure phase, some of them belong to different topological classes. This fact was used to explain various experimentally observed properties of these materials, and to discuss their deviations from expected trends. Some phase transitions observed in these systems, and their possible relation to changes in the charge density topology have been also investigated from the same point of view. Reasons for anion-anion bond formation in some of them and its features are discussed, as well.
T2  - Physica B: Condensed Matter
T1  - Bonding mechanism of some simple ionic systems: Bader topological analysis of some alkali halides and hydrides revisited
VL  - 545
SP  - 146
EP  - 151
DO  - 10.1016/j.physb.2018.06.008
ER  - 

@article{
author = "Paskaš Mamula, Bojana and Kuzmanović, Bojana and Medić-Ilić, Mirjana and Ivanović, Nenad and Novaković, Nikola",
year = "2018",
abstract = "The ability of Bader's charge density topology analysis to explain various material properties has been examined for simple ionic systems of alkali halides and alkali hydrides. It was established that despite the fact that most of them share the same rock salt crystal structure phase, some of them belong to different topological classes. This fact was used to explain various experimentally observed properties of these materials, and to discuss their deviations from expected trends. Some phase transitions observed in these systems, and their possible relation to changes in the charge density topology have been also investigated from the same point of view. Reasons for anion-anion bond formation in some of them and its features are discussed, as well.",
journal = "Physica B: Condensed Matter",
title = "Bonding mechanism of some simple ionic systems: Bader topological analysis of some alkali halides and hydrides revisited",
volume = "545",
pages = "146-151",
doi = "10.1016/j.physb.2018.06.008"
}

Paskaš Mamula, B., Kuzmanović, B., Medić-Ilić, M., Ivanović, N.,& Novaković, N.. (2018). Bonding mechanism of some simple ionic systems: Bader topological analysis of some alkali halides and hydrides revisited. in Physica B: Condensed Matter, 545, 146-151.
https://doi.org/10.1016/j.physb.2018.06.008

Paskaš Mamula B, Kuzmanović B, Medić-Ilić M, Ivanović N, Novaković N. Bonding mechanism of some simple ionic systems: Bader topological analysis of some alkali halides and hydrides revisited. in Physica B: Condensed Matter. 2018;545:146-151.
doi:10.1016/j.physb.2018.06.008 .

Paskaš Mamula, Bojana, Kuzmanović, Bojana, Medić-Ilić, Mirjana, Ivanović, Nenad, Novaković, Nikola, "Bonding mechanism of some simple ionic systems: Bader topological analysis of some alkali halides and hydrides revisited" in Physica B: Condensed Matter, 545 (2018):146-151,
https://doi.org/10.1016/j.physb.2018.06.008 . .

TY  - JOUR
AU  - Vujasin, Radojka
AU  - Grbović-Novaković, Jasmina
AU  - Novaković, Nikola
AU  - Giusepponi, Simone
AU  - Celino, Massimo
PY  - 2017
UR  - https://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 . .

TY  - CONF
AU  - Paskaš Mamula, Bojana
AU  - Kuzmanović, Bojana
AU  - Medić Ilić, Mirjana
AU  - Ivanović, Nenad
AU  - Novaković, Nikola
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11307
PB  - Zagreb : "Ruđer Bošković" Institute
C3  - Solid-State Science & Research 2021 : Book of Abstracts and Program
T1  - Bonding in alkali halides and hydrides: a charge topology study
SP  - 100
UR  - https://hdl.handle.net/21.15107/rcub_vinar_11307
ER  - 

@conference{
author = "Paskaš Mamula, Bojana and Kuzmanović, Bojana and Medić Ilić, Mirjana and Ivanović, Nenad and Novaković, Nikola",
year = "2017",
publisher = "Zagreb : "Ruđer Bošković" Institute",
journal = "Solid-State Science & Research 2021 : Book of Abstracts and Program",
title = "Bonding in alkali halides and hydrides: a charge topology study",
pages = "100",
url = "https://hdl.handle.net/21.15107/rcub_vinar_11307"
}

Paskaš Mamula, B., Kuzmanović, B., Medić Ilić, M., Ivanović, N.,& Novaković, N.. (2017). Bonding in alkali halides and hydrides: a charge topology study. in Solid-State Science & Research 2021 : Book of Abstracts and Program
Zagreb : "Ruđer Bošković" Institute., 100.
https://hdl.handle.net/21.15107/rcub_vinar_11307

Paskaš Mamula B, Kuzmanović B, Medić Ilić M, Ivanović N, Novaković N. Bonding in alkali halides and hydrides: a charge topology study. in Solid-State Science & Research 2021 : Book of Abstracts and Program. 2017;:100.
https://hdl.handle.net/21.15107/rcub_vinar_11307 .

Paskaš Mamula, Bojana, Kuzmanović, Bojana, Medić Ilić, Mirjana, Ivanović, Nenad, Novaković, Nikola, "Bonding in alkali halides and hydrides: a charge topology study" in Solid-State Science & Research 2021 : Book of Abstracts and Program (2017):100,
https://hdl.handle.net/21.15107/rcub_vinar_11307 .

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  - https://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 . .

TY  - JOUR
AU  - Radisavljević, Ivana
AU  - Kuzmanović, Bojana
AU  - Novaković, Nikola
AU  - Mahnke, Heinz-Eberhard
AU  - Vulićević, Lj.
AU  - Kurko, Sandra V.
AU  - Ivanović, Nenad
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1383
AB  - Structural and electronic properties, oxidation and aging effect of electrochemically (EC) synthesized magnetite nanopowders (NPs) are studied by means of X-ray diffraction (XRD), X-ray absorption fine structure (XAFS) and X-ray magnetic circular dichroism (XMCD). The obtained results enabled to get a direct insight into the structure and electronic properties of Fe immediate surrounding and to elucidate the influence of preparation conditions on stoichiometry of NPs and their stability in ambient conditions. All investigated NPs are produced as nonestoichiometric Fe3-delta O4 oxide phases, with the lattice constant and the Fe2+/Fe3+ ratio both in-between the values for bulk maghemite and magnetite. NPs synthesized under smaller current density (J = 200 mA/dm(2)) are more magnetite-alike, whereas larger current density (J = 1000 mA/dm(2)) has led to formation of NPs closer to maghemite. Oxidation of magnetite-like NPs is slower, although in the course of time particles agglomerate and oxide penetrates into the core. Maghemite-like NPs oxidize much faster and the oxide layer which is confined close to the particles surface protects the core from further oxidation. In all NPs the fist coordination around Fe is pretty stable against both temperature and oxidation process. The temperature change from 293 K to 20 K considerably affects the second coordination around Fe, which is most likely a consequence of the Verwey transition present in all investigated samples. (C) 2016 Elsevier B.V. All rights reserved.
T2  - Journal of Alloys and Compounds
T1  - Structural stability and local electronic properties of some EC synthesized magnetite nanopowders
VL  - 697
SP  - 409
EP  - 416
DO  - 10.1016/j.jallcom.2016.11.090
ER  - 

@article{
author = "Radisavljević, Ivana and Kuzmanović, Bojana and Novaković, Nikola and Mahnke, Heinz-Eberhard and Vulićević, Lj. and Kurko, Sandra V. and Ivanović, Nenad",
year = "2017",
abstract = "Structural and electronic properties, oxidation and aging effect of electrochemically (EC) synthesized magnetite nanopowders (NPs) are studied by means of X-ray diffraction (XRD), X-ray absorption fine structure (XAFS) and X-ray magnetic circular dichroism (XMCD). The obtained results enabled to get a direct insight into the structure and electronic properties of Fe immediate surrounding and to elucidate the influence of preparation conditions on stoichiometry of NPs and their stability in ambient conditions. All investigated NPs are produced as nonestoichiometric Fe3-delta O4 oxide phases, with the lattice constant and the Fe2+/Fe3+ ratio both in-between the values for bulk maghemite and magnetite. NPs synthesized under smaller current density (J = 200 mA/dm(2)) are more magnetite-alike, whereas larger current density (J = 1000 mA/dm(2)) has led to formation of NPs closer to maghemite. Oxidation of magnetite-like NPs is slower, although in the course of time particles agglomerate and oxide penetrates into the core. Maghemite-like NPs oxidize much faster and the oxide layer which is confined close to the particles surface protects the core from further oxidation. In all NPs the fist coordination around Fe is pretty stable against both temperature and oxidation process. The temperature change from 293 K to 20 K considerably affects the second coordination around Fe, which is most likely a consequence of the Verwey transition present in all investigated samples. (C) 2016 Elsevier B.V. All rights reserved.",
journal = "Journal of Alloys and Compounds",
title = "Structural stability and local electronic properties of some EC synthesized magnetite nanopowders",
volume = "697",
pages = "409-416",
doi = "10.1016/j.jallcom.2016.11.090"
}

Radisavljević, I., Kuzmanović, B., Novaković, N., Mahnke, H., Vulićević, Lj., Kurko, S. V.,& Ivanović, N.. (2017). Structural stability and local electronic properties of some EC synthesized magnetite nanopowders. in Journal of Alloys and Compounds, 697, 409-416.
https://doi.org/10.1016/j.jallcom.2016.11.090

Radisavljević I, Kuzmanović B, Novaković N, Mahnke H, Vulićević L, Kurko SV, Ivanović N. Structural stability and local electronic properties of some EC synthesized magnetite nanopowders. in Journal of Alloys and Compounds. 2017;697:409-416.
doi:10.1016/j.jallcom.2016.11.090 .

Radisavljević, Ivana, Kuzmanović, Bojana, Novaković, Nikola, Mahnke, Heinz-Eberhard, Vulićević, Lj., Kurko, Sandra V., Ivanović, Nenad, "Structural stability and local electronic properties of some EC synthesized magnetite nanopowders" in Journal of Alloys and Compounds, 697 (2017):409-416,
https://doi.org/10.1016/j.jallcom.2016.11.090 . .

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  - https://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 . .

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  - https://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 . .

TY  - JOUR
AU  - Radisavljević, Ivana
AU  - Novaković, Nikola
AU  - Matović, Branko
AU  - Paunović, Novica M.
AU  - Medić, Mirjana
AU  - Bundaleski, Nenad
AU  - Andrić, Velibor
AU  - Teodoro, Orlando M. N. D.
PY  - 2016
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/881
AB  - X-ray absorption (XANES, EXAFS, XMCD) and photoelectron (XPS) spectroscopic techniques were employed to study local structural, electronic and magnetic properties of Zn0.95Co0.05O nanopowders. The substitutional Co2+ ions are incorporated in ZnO lattice at regular Zn sites and the sample is characterized by high structural order. There was no sign of ferromagnetic ordering of Co magnetic moments and the sample is in paramagnetic state at all temperatures down to 5 K. The possible connection of the structural defects with the absence of ferromagnetism is discussed on the basis of theoretical calculations of the O K-edge absorption spectra. (C) 2015 Elsevier Ltd. All rights reserved.
PB  - Elsevier
T2  - Materials Research Bulletin
T1  - Comprehensive studies of structural, electronic and magnetic properties of Zn(0.9)5Co(0.05)O nanopowders
VL  - 74
SP  - 78
EP  - 84
DO  - 10.1016/j.materresbull.2015.10.014
ER  - 

@article{
author = "Radisavljević, Ivana and Novaković, Nikola and Matović, Branko and Paunović, Novica M. and Medić, Mirjana and Bundaleski, Nenad and Andrić, Velibor and Teodoro, Orlando M. N. D.",
year = "2016",
abstract = "X-ray absorption (XANES, EXAFS, XMCD) and photoelectron (XPS) spectroscopic techniques were employed to study local structural, electronic and magnetic properties of Zn0.95Co0.05O nanopowders. The substitutional Co2+ ions are incorporated in ZnO lattice at regular Zn sites and the sample is characterized by high structural order. There was no sign of ferromagnetic ordering of Co magnetic moments and the sample is in paramagnetic state at all temperatures down to 5 K. The possible connection of the structural defects with the absence of ferromagnetism is discussed on the basis of theoretical calculations of the O K-edge absorption spectra. (C) 2015 Elsevier Ltd. All rights reserved.",
publisher = "Elsevier",
journal = "Materials Research Bulletin",
title = "Comprehensive studies of structural, electronic and magnetic properties of Zn(0.9)5Co(0.05)O nanopowders",
volume = "74",
pages = "78-84",
doi = "10.1016/j.materresbull.2015.10.014"
}

Radisavljević, I., Novaković, N., Matović, B., Paunović, N. M., Medić, M., Bundaleski, N., Andrić, V.,& Teodoro, O. M. N. D.. (2016). Comprehensive studies of structural, electronic and magnetic properties of Zn(0.9)5Co(0.05)O nanopowders. in Materials Research Bulletin
Elsevier., 74, 78-84.
https://doi.org/10.1016/j.materresbull.2015.10.014

Radisavljević I, Novaković N, Matović B, Paunović NM, Medić M, Bundaleski N, Andrić V, Teodoro OMND. Comprehensive studies of structural, electronic and magnetic properties of Zn(0.9)5Co(0.05)O nanopowders. in Materials Research Bulletin. 2016;74:78-84.
doi:10.1016/j.materresbull.2015.10.014 .

Radisavljević, Ivana, Novaković, Nikola, Matović, Branko, Paunović, Novica M., Medić, Mirjana, Bundaleski, Nenad, Andrić, Velibor, Teodoro, Orlando M. N. D., "Comprehensive studies of structural, electronic and magnetic properties of Zn(0.9)5Co(0.05)O nanopowders" in Materials Research Bulletin, 74 (2016):78-84,
https://doi.org/10.1016/j.materresbull.2015.10.014 . .