Istraživanja lokalnih struktura i klastera u čvrstom stanju

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Istraživanja lokalnih struktura i klastera u čvrstom stanju (en)
Истраживања локалних структура и кластера у чврстом стању (sr)
Istraživanja lokalnih struktura i klastera u čvrstom stanju (sr_RS)
Authors

Publications

Calculations of Molecular Structures and Processes Important for Hydrogen Behaviour in the Li-Amide/Imide System

Ivanović, Nenad; Radisavljević, Ivana; Novaković, Nikola; Manasijević, Miodrag; Colognesi, D.

(2011)

TY  - JOUR
AU  - Ivanović, Nenad
AU  - Radisavljević, Ivana
AU  - Novaković, Nikola
AU  - Manasijević, Miodrag
AU  - Colognesi, D.
PY  - 2011
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/6917
AB  - Lithium amide (LiNH(2)) and imide (Li(2)NH) have recently attracted much attention as part of the Li-H-N system suitable for hydrogen (H) storage applications. However, the ground-state imide structure is still unknown with at least six candidate structures, with ground state energies all very close to one another. In order to discover possible pathways for the imide-amide-imide transformations during the hydrogen absorption/desorption cycles, we have examined the molecular structures involved (along with their changes during these processes) using ab-initio calculations based on the linear combination of atomic orbitals (LCAO). In addition, the influence of Li substitution by some other elements of interest on the system behaviour was investigated. These analyses were complemented by density functional theory (DFT) calculations of several crystal structures appearing in the processes. In this way a thorough insight into the structures and the processes taking place at atomic level is attained, providing a starting point for understanding these complicated systems, and the mechanisms governing their transformations.
T2  - Acta Physica Polonica A
T1  - Calculations of Molecular Structures and Processes Important for Hydrogen Behaviour in the Li-Amide/Imide System
VL  - 120
IS  - 2
SP  - 242
EP  - 245
DO  - 10.12693/APhysPolA.120.242
ER  - 
@article{
author = "Ivanović, Nenad and Radisavljević, Ivana and Novaković, Nikola and Manasijević, Miodrag and Colognesi, D.",
year = "2011",
abstract = "Lithium amide (LiNH(2)) and imide (Li(2)NH) have recently attracted much attention as part of the Li-H-N system suitable for hydrogen (H) storage applications. However, the ground-state imide structure is still unknown with at least six candidate structures, with ground state energies all very close to one another. In order to discover possible pathways for the imide-amide-imide transformations during the hydrogen absorption/desorption cycles, we have examined the molecular structures involved (along with their changes during these processes) using ab-initio calculations based on the linear combination of atomic orbitals (LCAO). In addition, the influence of Li substitution by some other elements of interest on the system behaviour was investigated. These analyses were complemented by density functional theory (DFT) calculations of several crystal structures appearing in the processes. In this way a thorough insight into the structures and the processes taking place at atomic level is attained, providing a starting point for understanding these complicated systems, and the mechanisms governing their transformations.",
journal = "Acta Physica Polonica A",
title = "Calculations of Molecular Structures and Processes Important for Hydrogen Behaviour in the Li-Amide/Imide System",
volume = "120",
number = "2",
pages = "242-245",
doi = "10.12693/APhysPolA.120.242"
}
Ivanović, N., Radisavljević, I., Novaković, N., Manasijević, M.,& Colognesi, D.. (2011). Calculations of Molecular Structures and Processes Important for Hydrogen Behaviour in the Li-Amide/Imide System. in Acta Physica Polonica A, 120(2), 242-245.
https://doi.org/10.12693/APhysPolA.120.242
Ivanović N, Radisavljević I, Novaković N, Manasijević M, Colognesi D. Calculations of Molecular Structures and Processes Important for Hydrogen Behaviour in the Li-Amide/Imide System. in Acta Physica Polonica A. 2011;120(2):242-245.
doi:10.12693/APhysPolA.120.242 .
Ivanović, Nenad, Radisavljević, Ivana, Novaković, Nikola, Manasijević, Miodrag, Colognesi, D., "Calculations of Molecular Structures and Processes Important for Hydrogen Behaviour in the Li-Amide/Imide System" in Acta Physica Polonica A, 120, no. 2 (2011):242-245,
https://doi.org/10.12693/APhysPolA.120.242 . .
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XAFS studies of ytterbium doped lead-telluride

Radisavljević, Ivana; Novaković, Nikola; Romčević, Nebojša Ž.; Manasijević, Miodrag; Mahnke, Heinz-Eberhard; Ivanović, Nenad

(2010)

TY  - JOUR
AU  - Radisavljević, Ivana
AU  - Novaković, Nikola
AU  - Romčević, Nebojša Ž.
AU  - Manasijević, Miodrag
AU  - Mahnke, Heinz-Eberhard
AU  - Ivanović, Nenad
PY  - 2010
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/4033
AB  - X-ray Absorption Fine Structure (XAFS) measurements were performed on uniformly doped PbTe:Yb (1.3 at.%) at all elemental absorption edges and the analysis of the results has provided precise information on the local structure around each atom. From the near edge part of the absorption spectra it was determined that Yb is in the mixed valent state, which is predominantly divalent with a small trivalent contribution. The analysis of the high energy region of the absorption spectra revealed that Yb incorporation causes deformation of the host PbTe lattice, manifested through extension of all the nearest-, and next-nearest neighbour distances. (C) 2010 Elsevier B.V. All rights reserved.
T2  - Journal of Alloys and Compounds
T1  - XAFS studies of ytterbium doped lead-telluride
VL  - 501
IS  - 1
SP  - 159
EP  - 163
DO  - 10.1016/j.jallcom.2010.04.068
ER  - 
@article{
author = "Radisavljević, Ivana and Novaković, Nikola and Romčević, Nebojša Ž. and Manasijević, Miodrag and Mahnke, Heinz-Eberhard and Ivanović, Nenad",
year = "2010",
abstract = "X-ray Absorption Fine Structure (XAFS) measurements were performed on uniformly doped PbTe:Yb (1.3 at.%) at all elemental absorption edges and the analysis of the results has provided precise information on the local structure around each atom. From the near edge part of the absorption spectra it was determined that Yb is in the mixed valent state, which is predominantly divalent with a small trivalent contribution. The analysis of the high energy region of the absorption spectra revealed that Yb incorporation causes deformation of the host PbTe lattice, manifested through extension of all the nearest-, and next-nearest neighbour distances. (C) 2010 Elsevier B.V. All rights reserved.",
journal = "Journal of Alloys and Compounds",
title = "XAFS studies of ytterbium doped lead-telluride",
volume = "501",
number = "1",
pages = "159-163",
doi = "10.1016/j.jallcom.2010.04.068"
}
Radisavljević, I., Novaković, N., Romčević, N. Ž., Manasijević, M., Mahnke, H.,& Ivanović, N.. (2010). XAFS studies of ytterbium doped lead-telluride. in Journal of Alloys and Compounds, 501(1), 159-163.
https://doi.org/10.1016/j.jallcom.2010.04.068
Radisavljević I, Novaković N, Romčević NŽ, Manasijević M, Mahnke H, Ivanović N. XAFS studies of ytterbium doped lead-telluride. in Journal of Alloys and Compounds. 2010;501(1):159-163.
doi:10.1016/j.jallcom.2010.04.068 .
Radisavljević, Ivana, Novaković, Nikola, Romčević, Nebojša Ž., Manasijević, Miodrag, Mahnke, Heinz-Eberhard, Ivanović, Nenad, "XAFS studies of ytterbium doped lead-telluride" in Journal of Alloys and Compounds, 501, no. 1 (2010):159-163,
https://doi.org/10.1016/j.jallcom.2010.04.068 . .
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Changes of Structural and Hydrogen Desorption Properties of Mgh2 Induced By Ion Irradiation

Kurko, Sandra V.; Matović, Ljiljana; Novaković, Nikola; Nenadović, Snežana S.; Jovanović, Zoran M.; Ivanović, Nenad; Grbović-Novaković, Jasmina

(2010)

TY  - JOUR
AU  - Kurko, Sandra V.
AU  - Matović, Ljiljana
AU  - Novaković, Nikola
AU  - Nenadović, Snežana S.
AU  - Jovanović, Zoran M.
AU  - Ivanović, Nenad
AU  - Grbović-Novaković, Jasmina
PY  - 2010
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/4054
AB  - Changes in structural and hydrogen desorption properties of MgH2 induced by ion irradiation have been investigated. Powder samples of MgH2 have been irradiated with 45 keV B3+ and 120 keV Ar8+, with ion fluence of 10(15) ions/cm(2). The effects of ion irradiation are estimated by Monte Carlo numerical calculations using the Stoping and Range of Ions in Matter (SRIM) package. The induced material modifications and their consequences on hydrogen dynamics in the system are investigated by XRD, particle size distribution and TPD techniques. Changes of TPD spectra with irradiation conditions suggest that there are several mechanisms involved in desorption process which depend on defect concentration and their interaction and ordering. The results confirmed that the near-surface area of MgH2 and formation of a substoichiometric MgHx (x LT 2) play a crucial role in hydrogen kinetics and that various concentrations of induced defects substantially influence H diffusion and desorption kinetics in MgH2. The results also confirm that there is possibility to control the thermodynamic parameters by controlling vacancies concentration in the system.
T2  - Hemijska industrija
T1  - Changes of Structural and Hydrogen Desorption Properties of Mgh2 Induced By Ion Irradiation
VL  - 64
IS  - 3
SP  - 227
EP  - 232
DO  - 10.2298/HEMIND091221034K
ER  - 
@article{
author = "Kurko, Sandra V. and Matović, Ljiljana and Novaković, Nikola and Nenadović, Snežana S. and Jovanović, Zoran M. and Ivanović, Nenad and Grbović-Novaković, Jasmina",
year = "2010",
abstract = "Changes in structural and hydrogen desorption properties of MgH2 induced by ion irradiation have been investigated. Powder samples of MgH2 have been irradiated with 45 keV B3+ and 120 keV Ar8+, with ion fluence of 10(15) ions/cm(2). The effects of ion irradiation are estimated by Monte Carlo numerical calculations using the Stoping and Range of Ions in Matter (SRIM) package. The induced material modifications and their consequences on hydrogen dynamics in the system are investigated by XRD, particle size distribution and TPD techniques. Changes of TPD spectra with irradiation conditions suggest that there are several mechanisms involved in desorption process which depend on defect concentration and their interaction and ordering. The results confirmed that the near-surface area of MgH2 and formation of a substoichiometric MgHx (x LT 2) play a crucial role in hydrogen kinetics and that various concentrations of induced defects substantially influence H diffusion and desorption kinetics in MgH2. The results also confirm that there is possibility to control the thermodynamic parameters by controlling vacancies concentration in the system.",
journal = "Hemijska industrija",
title = "Changes of Structural and Hydrogen Desorption Properties of Mgh2 Induced By Ion Irradiation",
volume = "64",
number = "3",
pages = "227-232",
doi = "10.2298/HEMIND091221034K"
}
Kurko, S. V., Matović, L., Novaković, N., Nenadović, S. S., Jovanović, Z. M., Ivanović, N.,& Grbović-Novaković, J.. (2010). Changes of Structural and Hydrogen Desorption Properties of Mgh2 Induced By Ion Irradiation. in Hemijska industrija, 64(3), 227-232.
https://doi.org/10.2298/HEMIND091221034K
Kurko SV, Matović L, Novaković N, Nenadović SS, Jovanović ZM, Ivanović N, Grbović-Novaković J. Changes of Structural and Hydrogen Desorption Properties of Mgh2 Induced By Ion Irradiation. in Hemijska industrija. 2010;64(3):227-232.
doi:10.2298/HEMIND091221034K .
Kurko, Sandra V., Matović, Ljiljana, Novaković, Nikola, Nenadović, Snežana S., Jovanović, Zoran M., Ivanović, Nenad, Grbović-Novaković, Jasmina, "Changes of Structural and Hydrogen Desorption Properties of Mgh2 Induced By Ion Irradiation" in Hemijska industrija, 64, no. 3 (2010):227-232,
https://doi.org/10.2298/HEMIND091221034K . .

Structural destabilisation of MgH(2) obtained by heavy ion irradiation

Matović, Branko; Novaković, Nikola; Kurko, Sandra V.; Šiljegović, Milorad; Kačarević-Popović, Zorica M.; Romčević, Nebojša Ž.; Ivanović, Nenad; Grbović-Novaković, Jasmina

(2009)

TY  - JOUR
AU  - Matović, Branko
AU  - Novaković, Nikola
AU  - Kurko, Sandra V.
AU  - Šiljegović, Milorad
AU  - Kačarević-Popović, Zorica M.
AU  - Romčević, Nebojša Ž.
AU  - Ivanović, Nenad
AU  - Grbović-Novaković, Jasmina
PY  - 2009
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3793
AB  - MgH(2) powder samples have been irradiated with 120 keV Ar(+8) ions with different ion fluencies ranging from 10(12) to 10(16) ions/cm(2). irradiation effects are estimated by SRIM calculations, and investigated experimentally using Raman spectroscopy and X-ray diffraction (XRD) analysis. The observed changes of structure and vibrational spectra are elaborated, their consequences on hydrogen bonding in MgH(2) discussed, and influence on H-desorption properties investigated by Temperature Programmed Desorption (TPD) and Differential Scanning Calorimetry (DSC) techniques. it has been established that near-surface defects have a predominant influence on decreasing the H-desorption temperature. Variations of Raman, TPD and DSC spectra with irradiation conditions suggest that there are several mechanisms of dehydriding, and that they depend on defect concentration, interaction and ordering. (C) 2009 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved.
T2  - International Journal of Hydrogen Energy
T1  - Structural destabilisation of MgH(2) obtained by heavy ion irradiation
VL  - 34
IS  - 17
SP  - 7275
EP  - 7282
DO  - 10.1016/j.ijhydene.2009.06.081
ER  - 
@article{
author = "Matović, Branko and Novaković, Nikola and Kurko, Sandra V. and Šiljegović, Milorad and Kačarević-Popović, Zorica M. and Romčević, Nebojša Ž. and Ivanović, Nenad and Grbović-Novaković, Jasmina",
year = "2009",
abstract = "MgH(2) powder samples have been irradiated with 120 keV Ar(+8) ions with different ion fluencies ranging from 10(12) to 10(16) ions/cm(2). irradiation effects are estimated by SRIM calculations, and investigated experimentally using Raman spectroscopy and X-ray diffraction (XRD) analysis. The observed changes of structure and vibrational spectra are elaborated, their consequences on hydrogen bonding in MgH(2) discussed, and influence on H-desorption properties investigated by Temperature Programmed Desorption (TPD) and Differential Scanning Calorimetry (DSC) techniques. it has been established that near-surface defects have a predominant influence on decreasing the H-desorption temperature. Variations of Raman, TPD and DSC spectra with irradiation conditions suggest that there are several mechanisms of dehydriding, and that they depend on defect concentration, interaction and ordering. (C) 2009 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved.",
journal = "International Journal of Hydrogen Energy",
title = "Structural destabilisation of MgH(2) obtained by heavy ion irradiation",
volume = "34",
number = "17",
pages = "7275-7282",
doi = "10.1016/j.ijhydene.2009.06.081"
}
Matović, B., Novaković, N., Kurko, S. V., Šiljegović, M., Kačarević-Popović, Z. M., Romčević, N. Ž., Ivanović, N.,& Grbović-Novaković, J.. (2009). Structural destabilisation of MgH(2) obtained by heavy ion irradiation. in International Journal of Hydrogen Energy, 34(17), 7275-7282.
https://doi.org/10.1016/j.ijhydene.2009.06.081
Matović B, Novaković N, Kurko SV, Šiljegović M, Kačarević-Popović ZM, Romčević NŽ, Ivanović N, Grbović-Novaković J. Structural destabilisation of MgH(2) obtained by heavy ion irradiation. in International Journal of Hydrogen Energy. 2009;34(17):7275-7282.
doi:10.1016/j.ijhydene.2009.06.081 .
Matović, Branko, Novaković, Nikola, Kurko, Sandra V., Šiljegović, Milorad, Kačarević-Popović, Zorica M., Romčević, Nebojša Ž., Ivanović, Nenad, Grbović-Novaković, Jasmina, "Structural destabilisation of MgH(2) obtained by heavy ion irradiation" in International Journal of Hydrogen Energy, 34, no. 17 (2009):7275-7282,
https://doi.org/10.1016/j.ijhydene.2009.06.081 . .
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Experimental and Theoretical Investigations of Cured and Uncured Disiloxane Bisbenzocyclobutene Thin Films

Ivanović, Nenad; Marjanović, Nenad; Grbović-Novaković, Jasmina; Manasijević, Miodrag; Rakočević, Zlatko Lj.; Andrić, Velibor; Hadžić, Branka B.

(2009)

TY  - JOUR
AU  - Ivanović, Nenad
AU  - Marjanović, Nenad
AU  - Grbović-Novaković, Jasmina
AU  - Manasijević, Miodrag
AU  - Rakočević, Zlatko Lj.
AU  - Andrić, Velibor
AU  - Hadžić, Branka B.
PY  - 2009
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3906
AB  - The main challenge in the large-scale commercial applications of benzocyclobutene (BCB) dielectrics is to perform their curing rapidly and efficiently at low temperatures, and in the same time, to obtain large area, high quality, pinhole free dielectric thin films. For that purpose, we investigated numerous uncured and cured BCB films, approximately 2 mu m thick, spin-coated on glass/ITO surface, using optical and AFM microscopy, infrared (IR) and Raman spectroscopy, and complete these results with appropriate Linear Combination of Atomic Orbitals (LCAO) calculations. That way we relate microscopic characteristics of the involved molecules, and macroscopic properties of the cured and uncured polymers, which is important for their practical applications.
T2  - Materials and Manufacturing Processes
T1  - Experimental and Theoretical Investigations of Cured and Uncured Disiloxane Bisbenzocyclobutene Thin Films
VL  - 24
IS  - 10-11
SP  - 1180
EP  - 1184
DO  - 10.1080/10426910902978811
ER  - 
@article{
author = "Ivanović, Nenad and Marjanović, Nenad and Grbović-Novaković, Jasmina and Manasijević, Miodrag and Rakočević, Zlatko Lj. and Andrić, Velibor and Hadžić, Branka B.",
year = "2009",
abstract = "The main challenge in the large-scale commercial applications of benzocyclobutene (BCB) dielectrics is to perform their curing rapidly and efficiently at low temperatures, and in the same time, to obtain large area, high quality, pinhole free dielectric thin films. For that purpose, we investigated numerous uncured and cured BCB films, approximately 2 mu m thick, spin-coated on glass/ITO surface, using optical and AFM microscopy, infrared (IR) and Raman spectroscopy, and complete these results with appropriate Linear Combination of Atomic Orbitals (LCAO) calculations. That way we relate microscopic characteristics of the involved molecules, and macroscopic properties of the cured and uncured polymers, which is important for their practical applications.",
journal = "Materials and Manufacturing Processes",
title = "Experimental and Theoretical Investigations of Cured and Uncured Disiloxane Bisbenzocyclobutene Thin Films",
volume = "24",
number = "10-11",
pages = "1180-1184",
doi = "10.1080/10426910902978811"
}
Ivanović, N., Marjanović, N., Grbović-Novaković, J., Manasijević, M., Rakočević, Z. Lj., Andrić, V.,& Hadžić, B. B.. (2009). Experimental and Theoretical Investigations of Cured and Uncured Disiloxane Bisbenzocyclobutene Thin Films. in Materials and Manufacturing Processes, 24(10-11), 1180-1184.
https://doi.org/10.1080/10426910902978811
Ivanović N, Marjanović N, Grbović-Novaković J, Manasijević M, Rakočević ZL, Andrić V, Hadžić BB. Experimental and Theoretical Investigations of Cured and Uncured Disiloxane Bisbenzocyclobutene Thin Films. in Materials and Manufacturing Processes. 2009;24(10-11):1180-1184.
doi:10.1080/10426910902978811 .
Ivanović, Nenad, Marjanović, Nenad, Grbović-Novaković, Jasmina, Manasijević, Miodrag, Rakočević, Zlatko Lj., Andrić, Velibor, Hadžić, Branka B., "Experimental and Theoretical Investigations of Cured and Uncured Disiloxane Bisbenzocyclobutene Thin Films" in Materials and Manufacturing Processes, 24, no. 10-11 (2009):1180-1184,
https://doi.org/10.1080/10426910902978811 . .
3
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3

Investigation of properties of electrochemically synthesizediron oxide nano-powders

Vulićević, Lj.; Ivanović, Nenad; Popovic, N.; Novaković, Mirjana M.; Popović, Maja; Mitrić, Miodrag; Andrić, Velibor; Babić, Dragan

(2008)

TY  - JOUR
AU  - Vulićević, Lj.
AU  - Ivanović, Nenad
AU  - Popovic, N.
AU  - Novaković, Mirjana M.
AU  - Popović, Maja
AU  - Mitrić, Miodrag
AU  - Andrić, Velibor
AU  - Babić, Dragan
PY  - 2008
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3581
AB  - Nano-sized powders of iron oxides have been synthesized electrochemically at temperatures in the range of 295-361 K, and current densities in the range of 200-1000 mA dm(-2). The structure and morphology of the powders were investigated by X-ray diffraction and scanning electron and transmission electron microscopy techniques. Their infrared absorption spectra, specific heat C(p)(T) and magnetic susceptibility chi(T) temperature dependences are also determined. The obtained powders consist of two phases, each possessing distinguished characteristics: the one formed of large plates and the other of whiskers. By appropriate adjustment of the synthesis conditions, it is possible to change features and relative abundances of the two phases, and that way to control morphology and other powder properties. Relaxation and transformation of the phases under external influences was also investigated, and the optimal procedure for preparation and stabilization of iron oxide nano-sized powders with desired characteristics was established.
T2  - Journal of Microscopy, Oxford
T1  - Investigation of properties of electrochemically synthesizediron oxide nano-powders
VL  - 232
IS  - 3
SP  - 629
EP  - 633
DO  - 10.1111/j.1365-2818.2008.02129.x
ER  - 
@article{
author = "Vulićević, Lj. and Ivanović, Nenad and Popovic, N. and Novaković, Mirjana M. and Popović, Maja and Mitrić, Miodrag and Andrić, Velibor and Babić, Dragan",
year = "2008",
abstract = "Nano-sized powders of iron oxides have been synthesized electrochemically at temperatures in the range of 295-361 K, and current densities in the range of 200-1000 mA dm(-2). The structure and morphology of the powders were investigated by X-ray diffraction and scanning electron and transmission electron microscopy techniques. Their infrared absorption spectra, specific heat C(p)(T) and magnetic susceptibility chi(T) temperature dependences are also determined. The obtained powders consist of two phases, each possessing distinguished characteristics: the one formed of large plates and the other of whiskers. By appropriate adjustment of the synthesis conditions, it is possible to change features and relative abundances of the two phases, and that way to control morphology and other powder properties. Relaxation and transformation of the phases under external influences was also investigated, and the optimal procedure for preparation and stabilization of iron oxide nano-sized powders with desired characteristics was established.",
journal = "Journal of Microscopy, Oxford",
title = "Investigation of properties of electrochemically synthesizediron oxide nano-powders",
volume = "232",
number = "3",
pages = "629-633",
doi = "10.1111/j.1365-2818.2008.02129.x"
}
Vulićević, Lj., Ivanović, N., Popovic, N., Novaković, M. M., Popović, M., Mitrić, M., Andrić, V.,& Babić, D.. (2008). Investigation of properties of electrochemically synthesizediron oxide nano-powders. in Journal of Microscopy, Oxford, 232(3), 629-633.
https://doi.org/10.1111/j.1365-2818.2008.02129.x
Vulićević L, Ivanović N, Popovic N, Novaković MM, Popović M, Mitrić M, Andrić V, Babić D. Investigation of properties of electrochemically synthesizediron oxide nano-powders. in Journal of Microscopy, Oxford. 2008;232(3):629-633.
doi:10.1111/j.1365-2818.2008.02129.x .
Vulićević, Lj., Ivanović, Nenad, Popovic, N., Novaković, Mirjana M., Popović, Maja, Mitrić, Miodrag, Andrić, Velibor, Babić, Dragan, "Investigation of properties of electrochemically synthesizediron oxide nano-powders" in Journal of Microscopy, Oxford, 232, no. 3 (2008):629-633,
https://doi.org/10.1111/j.1365-2818.2008.02129.x . .
5
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5

Changes in structure and properties of oligophenylenes under selected external influences

Radisavljević, Ivana; Marjanovic, D.; Novaković, Nikola; Ivanović, Nenad

(2007)

TY  - CONF
AU  - Radisavljević, Ivana
AU  - Marjanovic, D.
AU  - Novaković, Nikola
AU  - Ivanović, Nenad
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/6698
AB  - Effects induced by uniaxial compression and external electric field in P2P to P6P oligophenylene molecules are investigated by versatile calculations. In this way some useful relations between particular values of compression or field directions and intensities to specific changes in molecular structure and properties have been established, enabling estimation of possibilities for tuning the materials characteristics and their spectroscopic analyses. The results are compared to the existing experimental data and similar calculations, and some consequences for applications of oligophenylenes-based materials are discussed.
C3  - Materials Science Forum
T1  - Changes in structure and properties of oligophenylenes under selected external influences
VL  - 555
SP  - 509
EP  - +
DO  - 10.4028/www.scientific.net/MSF.555.509
ER  - 
@conference{
author = "Radisavljević, Ivana and Marjanovic, D. and Novaković, Nikola and Ivanović, Nenad",
year = "2007",
abstract = "Effects induced by uniaxial compression and external electric field in P2P to P6P oligophenylene molecules are investigated by versatile calculations. In this way some useful relations between particular values of compression or field directions and intensities to specific changes in molecular structure and properties have been established, enabling estimation of possibilities for tuning the materials characteristics and their spectroscopic analyses. The results are compared to the existing experimental data and similar calculations, and some consequences for applications of oligophenylenes-based materials are discussed.",
journal = "Materials Science Forum",
title = "Changes in structure and properties of oligophenylenes under selected external influences",
volume = "555",
pages = "509-+",
doi = "10.4028/www.scientific.net/MSF.555.509"
}
Radisavljević, I., Marjanovic, D., Novaković, N.,& Ivanović, N.. (2007). Changes in structure and properties of oligophenylenes under selected external influences. in Materials Science Forum, 555, 509-+.
https://doi.org/10.4028/www.scientific.net/MSF.555.509
Radisavljević I, Marjanovic D, Novaković N, Ivanović N. Changes in structure and properties of oligophenylenes under selected external influences. in Materials Science Forum. 2007;555:509-+.
doi:10.4028/www.scientific.net/MSF.555.509 .
Radisavljević, Ivana, Marjanovic, D., Novaković, Nikola, Ivanović, Nenad, "Changes in structure and properties of oligophenylenes under selected external influences" in Materials Science Forum, 555 (2007):509-+,
https://doi.org/10.4028/www.scientific.net/MSF.555.509 . .
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2

The study of nanodispersed composite MgH2-Ti: experiment and theory

Brdarić, Tanja; Grbović-Novaković, Jasmina; Novaković, Nikola; Mentus, Slavko V.

(Society of Physical Chemists of Serbia, 2006)

TY  - CONF
AU  - Brdarić, Tanja
AU  - Grbović-Novaković, Jasmina
AU  - Novaković, Nikola
AU  - Mentus, Slavko V.
PY  - 2006
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9448
AB  - In order to obtain faster hydrogen sorption kinetics, MgH2-Ti nanocomposites were prepared by high-energy ball milling, under Ar using 10:1 ball to powder ratio and 10% of catalyst. Microstructural and morphological characterization, performed by XRD and optical microscopy analysis, show a correlation with thermal stability and hydrogen desorption properties investigated by DTA. In order to obtain deeper insight into bonding mechanisms of Ti in MgH2 fully relaxed structure, we have performed ab initio electronic structure calculations of MgH2 + Ti system, using Full Potential Linearized Augmented Plane Wave method, as implemented in WIEN2K code.
PB  - Society of Physical Chemists of Serbia
C3  - Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry
T1  - The study of nanodispersed composite MgH2-Ti: experiment and theory
SP  - 501
EP  - 503
UR  - https://hdl.handle.net/21.15107/rcub_vinar_9448
ER  - 
@conference{
author = "Brdarić, Tanja and Grbović-Novaković, Jasmina and Novaković, Nikola and Mentus, Slavko V.",
year = "2006",
abstract = "In order to obtain faster hydrogen sorption kinetics, MgH2-Ti nanocomposites were prepared by high-energy ball milling, under Ar using 10:1 ball to powder ratio and 10% of catalyst. Microstructural and morphological characterization, performed by XRD and optical microscopy analysis, show a correlation with thermal stability and hydrogen desorption properties investigated by DTA. In order to obtain deeper insight into bonding mechanisms of Ti in MgH2 fully relaxed structure, we have performed ab initio electronic structure calculations of MgH2 + Ti system, using Full Potential Linearized Augmented Plane Wave method, as implemented in WIEN2K code.",
publisher = "Society of Physical Chemists of Serbia",
journal = "Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry",
title = "The study of nanodispersed composite MgH2-Ti: experiment and theory",
pages = "501-503",
url = "https://hdl.handle.net/21.15107/rcub_vinar_9448"
}
Brdarić, T., Grbović-Novaković, J., Novaković, N.,& Mentus, S. V.. (2006). The study of nanodispersed composite MgH2-Ti: experiment and theory. in Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry
Society of Physical Chemists of Serbia., 501-503.
https://hdl.handle.net/21.15107/rcub_vinar_9448
Brdarić T, Grbović-Novaković J, Novaković N, Mentus SV. The study of nanodispersed composite MgH2-Ti: experiment and theory. in Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry. 2006;:501-503.
https://hdl.handle.net/21.15107/rcub_vinar_9448 .
Brdarić, Tanja, Grbović-Novaković, Jasmina, Novaković, Nikola, Mentus, Slavko V., "The study of nanodispersed composite MgH2-Ti: experiment and theory" in Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry (2006):501-503,
https://hdl.handle.net/21.15107/rcub_vinar_9448 .