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  - Medić-Ilić, Mirjana
AU  - Bundaleski, Nenad
AU  - Ivanović, Nenad
AU  - Teodoro, Orlando M. N. D.
AU  - Rakočević, Zlatko Lj.
AU  - Minić, Dragica M.
AU  - Romčević, Nebojša Ž.
AU  - Radisavljević, Ivana
PY  - 2020
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8910
AB  - Recently introduced model for quantitative analysis of in-depth non-uniform surfaces is applied to reexamine the X-ray Photoelectron Spectroscopy (XPS) data of Cd0.99Fe0.01Te0.97Se0.03 and Zn0.98Fe0.02Te0.91Se0.09 crystalline samples. Special attention is paid to the precise identification of phases which form the bulk-like near-surface region and the surface overlayers (the oxide layer and the layer of organic impurities), as well as the influence of surface morphology on the measurements. The obtained results fully support earlier qualitative estimations, but also provide new quantitative insight into the composition of the three investigated regions. The near-surface region of Cd0.99Fe0.01Te0.97Se0.03 and Zn0.98Fe0.02Te0.91Se0.09 samples is slightly electropositive, with cation/anion ratio 52:48 and 53:47, respectively. Model surface structures, which are fully compatible with the experimental results, comprise 0.76 nm thick CdTeO3 layer at the surface of Cd0.99Fe0.01Te0.97Se0.03 and 0.33 nm thick mixed ZnO/TeO2 oxide layer on Zn0.98Fe0.02Te0.91Se0.09. In both samples the oxide layer is only a few atomic layers thick, implying that it suppresses further rapid migration of oxygen into the bulk.
T2  - Vacuum
T1  - XPS measurements of air-exposed Cd(Zn)1xFexTe1ySey surfaces revisited
VL  - 176
SP  - 109340
DO  - 10.1016/j.vacuum.2020.109340
ER  - 

@article{
author = "Medić-Ilić, Mirjana and Bundaleski, Nenad and Ivanović, Nenad and Teodoro, Orlando M. N. D. and Rakočević, Zlatko Lj. and Minić, Dragica M. and Romčević, Nebojša Ž. and Radisavljević, Ivana",
year = "2020",
abstract = "Recently introduced model for quantitative analysis of in-depth non-uniform surfaces is applied to reexamine the X-ray Photoelectron Spectroscopy (XPS) data of Cd0.99Fe0.01Te0.97Se0.03 and Zn0.98Fe0.02Te0.91Se0.09 crystalline samples. Special attention is paid to the precise identification of phases which form the bulk-like near-surface region and the surface overlayers (the oxide layer and the layer of organic impurities), as well as the influence of surface morphology on the measurements. The obtained results fully support earlier qualitative estimations, but also provide new quantitative insight into the composition of the three investigated regions. The near-surface region of Cd0.99Fe0.01Te0.97Se0.03 and Zn0.98Fe0.02Te0.91Se0.09 samples is slightly electropositive, with cation/anion ratio 52:48 and 53:47, respectively. Model surface structures, which are fully compatible with the experimental results, comprise 0.76 nm thick CdTeO3 layer at the surface of Cd0.99Fe0.01Te0.97Se0.03 and 0.33 nm thick mixed ZnO/TeO2 oxide layer on Zn0.98Fe0.02Te0.91Se0.09. In both samples the oxide layer is only a few atomic layers thick, implying that it suppresses further rapid migration of oxygen into the bulk.",
journal = "Vacuum",
title = "XPS measurements of air-exposed Cd(Zn)1xFexTe1ySey surfaces revisited",
volume = "176",
pages = "109340",
doi = "10.1016/j.vacuum.2020.109340"
}

Medić-Ilić, M., Bundaleski, N., Ivanović, N., Teodoro, O. M. N. D., Rakočević, Z. Lj., Minić, D. M., Romčević, N. Ž.,& Radisavljević, I.. (2020). XPS measurements of air-exposed Cd(Zn)1xFexTe1ySey surfaces revisited. in Vacuum, 176, 109340.
https://doi.org/10.1016/j.vacuum.2020.109340

Medić-Ilić M, Bundaleski N, Ivanović N, Teodoro OMND, Rakočević ZL, Minić DM, Romčević NŽ, Radisavljević I. XPS measurements of air-exposed Cd(Zn)1xFexTe1ySey surfaces revisited. in Vacuum. 2020;176:109340.
doi:10.1016/j.vacuum.2020.109340 .

Medić-Ilić, Mirjana, Bundaleski, Nenad, Ivanović, Nenad, Teodoro, Orlando M. N. D., Rakočević, Zlatko Lj., Minić, Dragica M., Romčević, Nebojša Ž., Radisavljević, Ivana, "XPS measurements of air-exposed Cd(Zn)1xFexTe1ySey surfaces revisited" in Vacuum, 176 (2020):109340,
https://doi.org/10.1016/j.vacuum.2020.109340 . .

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  - Bundaleski, Nenad
AU  - Radisavljević, Ivana
AU  - Ivanović, Nenad
AU  - Rakočević, Zlatko Lj.
AU  - Medić-Ilić, Mirjana
AU  - Tadić, Julijana D.
AU  - Teodoro, Orlando M. N. D.
PY  - 2019
UR  - https://linkinghub.elsevier.com/retrieve/pii/S0039602818307611
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/7977
AB  - Local structural and electronic properties around Fe in multi-component Cd0.99Fe0.01Te0.97S0.03 system were studied by means of X-ray absorption fine structure (XAFS). Composition of non-polar (110) surfaces of Cd0.97Fe0.03Te and Cd0.99Fe0.01Te0.97S0.03 systems and mechanism of their oxidation in ambient conditions were studied by Atomic Force Microscopy (AFM) and X-ray Photoelectron Spectroscopy (XPS). It has been found that Fe preferentially substitutes Cd, but due to much smaller covalent radius and preferences for paring with S, it causes local distortion of the host CdTe lattice. The distortion is confined to the Fe-immediate surrounding and the second and third coordination shell atoms are (inside experimental uncertainties) placed at distances expected in CdTe. Although local structure around Fe is well defined in the bulk of both samples, their near-surface region is completely depleted from Fe, and in case of Cd0.99Fe0.01Te0.97S0.03 somewhat enriched in S. Special attention is, therefore, paid to characterization of the near-surface region and evaluation of its composition and structure. To that end we have introduced a general standard-free algorithm for XPS data analysis of the two-layer surface structure (bulk, oxide layer, and the impurity layer). Results of the in-depth composition analysis revealed that despite different bulk composition and impurity layer thickness, underneath the topmost impurity layer lays approximately one monolayer of CdTeO3 which passivates the surface. © 2018 Elsevier B.V.
T2  - Surface Science
T1  - Local, electronic and surface structure of multi-component Fe-doped CdTe(S) systems
VL  - 681
SP  - 76
EP  - 86
DO  - 10.1016/j.susc.2018.11.007
ER  - 

@article{
author = "Bundaleski, Nenad and Radisavljević, Ivana and Ivanović, Nenad and Rakočević, Zlatko Lj. and Medić-Ilić, Mirjana and Tadić, Julijana D. and Teodoro, Orlando M. N. D.",
year = "2019",
abstract = "Local structural and electronic properties around Fe in multi-component Cd0.99Fe0.01Te0.97S0.03 system were studied by means of X-ray absorption fine structure (XAFS). Composition of non-polar (110) surfaces of Cd0.97Fe0.03Te and Cd0.99Fe0.01Te0.97S0.03 systems and mechanism of their oxidation in ambient conditions were studied by Atomic Force Microscopy (AFM) and X-ray Photoelectron Spectroscopy (XPS). It has been found that Fe preferentially substitutes Cd, but due to much smaller covalent radius and preferences for paring with S, it causes local distortion of the host CdTe lattice. The distortion is confined to the Fe-immediate surrounding and the second and third coordination shell atoms are (inside experimental uncertainties) placed at distances expected in CdTe. Although local structure around Fe is well defined in the bulk of both samples, their near-surface region is completely depleted from Fe, and in case of Cd0.99Fe0.01Te0.97S0.03 somewhat enriched in S. Special attention is, therefore, paid to characterization of the near-surface region and evaluation of its composition and structure. To that end we have introduced a general standard-free algorithm for XPS data analysis of the two-layer surface structure (bulk, oxide layer, and the impurity layer). Results of the in-depth composition analysis revealed that despite different bulk composition and impurity layer thickness, underneath the topmost impurity layer lays approximately one monolayer of CdTeO3 which passivates the surface. © 2018 Elsevier B.V.",
journal = "Surface Science",
title = "Local, electronic and surface structure of multi-component Fe-doped CdTe(S) systems",
volume = "681",
pages = "76-86",
doi = "10.1016/j.susc.2018.11.007"
}

Bundaleski, N., Radisavljević, I., Ivanović, N., Rakočević, Z. Lj., Medić-Ilić, M., Tadić, J. D.,& Teodoro, O. M. N. D.. (2019). Local, electronic and surface structure of multi-component Fe-doped CdTe(S) systems. in Surface Science, 681, 76-86.
https://doi.org/10.1016/j.susc.2018.11.007

Bundaleski N, Radisavljević I, Ivanović N, Rakočević ZL, Medić-Ilić M, Tadić JD, Teodoro OMND. Local, electronic and surface structure of multi-component Fe-doped CdTe(S) systems. in Surface Science. 2019;681:76-86.
doi:10.1016/j.susc.2018.11.007 .

Bundaleski, Nenad, Radisavljević, Ivana, Ivanović, Nenad, Rakočević, Zlatko Lj., Medić-Ilić, Mirjana, Tadić, Julijana D., Teodoro, Orlando M. N. D., "Local, electronic and surface structure of multi-component Fe-doped CdTe(S) systems" in Surface Science, 681 (2019):76-86,
https://doi.org/10.1016/j.susc.2018.11.007 . .

TY  - JOUR
AU  - Kuzmanović, Bojana
AU  - Ostojić, Stanko
AU  - Radisavljević, Ivana
AU  - Minić, Dragica M.
AU  - Ivanović, Nenad
PY  - 2019
UR  - https://linkinghub.elsevier.com/retrieve/pii/S0379677919300736
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8136
AB  - In spite of extensive investigation and applications, influence of oxygen (O), and humidity on polyaniline (PANI) behaviour is not well understood. For this reason we have performed semi-empirical quantum mechanics, and ab-initio calculations of the pernigraniline base (PNB) PANI oligomers, of various lengths, before and after approach of H 2 O, O 2 , and hydroxyl (OH − ) group, and attachment of OH − and O to various molecular positions. Structure, charge and electrostatic potential distribution, relevant energies and enthalpies, infrared and electronic spectra of the PNB tetramer equilibrium conformation, and their changes induced by specific OH − , and O attachments are determined. These results provide identification of the most probable positions for O 2 and H 2 O approach to PNB_PANI, enthalpies of OH − and O attachments to them, changes of molecular properties induced by the attachments, and infrared and electronic modes that are most suitable for the attachments detection. The results are compared to the existing experimental data, and the results of similar calculations, and implications for the PNB_PANI applications are notified. © 2019 Elsevier B.V.
T2  - Synthetic Metals
T1  - Calculations of oxygen and humidity influence on properties of pernigraniline base polyaniline oligomers
VL  - 251
SP  - 85
EP  - 94
DO  - 10.1016/j.synthmet.2019.03.014
ER  - 

@article{
author = "Kuzmanović, Bojana and Ostojić, Stanko and Radisavljević, Ivana and Minić, Dragica M. and Ivanović, Nenad",
year = "2019",
abstract = "In spite of extensive investigation and applications, influence of oxygen (O), and humidity on polyaniline (PANI) behaviour is not well understood. For this reason we have performed semi-empirical quantum mechanics, and ab-initio calculations of the pernigraniline base (PNB) PANI oligomers, of various lengths, before and after approach of H 2 O, O 2 , and hydroxyl (OH − ) group, and attachment of OH − and O to various molecular positions. Structure, charge and electrostatic potential distribution, relevant energies and enthalpies, infrared and electronic spectra of the PNB tetramer equilibrium conformation, and their changes induced by specific OH − , and O attachments are determined. These results provide identification of the most probable positions for O 2 and H 2 O approach to PNB_PANI, enthalpies of OH − and O attachments to them, changes of molecular properties induced by the attachments, and infrared and electronic modes that are most suitable for the attachments detection. The results are compared to the existing experimental data, and the results of similar calculations, and implications for the PNB_PANI applications are notified. © 2019 Elsevier B.V.",
journal = "Synthetic Metals",
title = "Calculations of oxygen and humidity influence on properties of pernigraniline base polyaniline oligomers",
volume = "251",
pages = "85-94",
doi = "10.1016/j.synthmet.2019.03.014"
}

Kuzmanović, B., Ostojić, S., Radisavljević, I., Minić, D. M.,& Ivanović, N.. (2019). Calculations of oxygen and humidity influence on properties of pernigraniline base polyaniline oligomers. in Synthetic Metals, 251, 85-94.
https://doi.org/10.1016/j.synthmet.2019.03.014

Kuzmanović B, Ostojić S, Radisavljević I, Minić DM, Ivanović N. Calculations of oxygen and humidity influence on properties of pernigraniline base polyaniline oligomers. in Synthetic Metals. 2019;251:85-94.
doi:10.1016/j.synthmet.2019.03.014 .

Kuzmanović, Bojana, Ostojić, Stanko, Radisavljević, Ivana, Minić, Dragica M., Ivanović, Nenad, "Calculations of oxygen and humidity influence on properties of pernigraniline base polyaniline oligomers" in Synthetic Metals, 251 (2019):85-94,
https://doi.org/10.1016/j.synthmet.2019.03.014 . .

TY  - JOUR
AU  - Bundaleski, Nenad
AU  - Radisavljević, Ivana
AU  - Trigueiro, Joao
AU  - Tolstogouzov, Alexander
AU  - Rakočević, Zlatko Lj.
AU  - Medić, Mirjana
AU  - Teodoro, Orlando M. N. D.
AU  - Romčević, Nebojša Ž.
AU  - Ivanović, Nenad
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1422
AB  - Using X-ray induced Photoelectron Spectroscopy, Time of Flight Secondary Ion Mass Spectrometry and Atomic Force Microscopy we have investigated elemental composition, structure and oxidation process taking place at the surfaces of polycrystalline Cd0.99Fe0.01Te0.97Se0.03 and Cd0.95Mn0.05Te0.97Se0.03 systems stored in ambient conditions. The surface oxidation destroys the native CdTe matrix and provokes substantial atomic rearrangement in the first few atomic layers. The near surface region of both systems is enriched in Cd and to some extent Te-deficient, but the surface structure, morphology and the native oxide composition are all found to be considerably different. In Cd0.99Fe0.01Te0.97Se0.03 system both Fe and Se dopants diffuse into the bulk and oxidation of its surface results in formation of a thin CdTeO3 layer which covers the CdTe matrix. In Cd0.95Mn0.05Te0.97Se0.03 system oxygen-rich atmosphere triggers Mn and Se out diffusion and the nonuniform oxide layer predominantly consists of MnO and a small amount of Te-oxide which both lay underneath a thin layer of metallic Cd segregated at the top of the surface. (C) 2016 Elsevier B.V. All rights reserved.
T2  - Materials Chemistry and Physics
T1  - Surface composition of Cd1-xFe(Mn)(x)Te1-ySey systems exposed to air
VL  - 189
SP  - 35
EP  - 43
DO  - 10.1016/j.matchemphys.2016.12.029
ER  - 

@article{
author = "Bundaleski, Nenad and Radisavljević, Ivana and Trigueiro, Joao and Tolstogouzov, Alexander and Rakočević, Zlatko Lj. and Medić, Mirjana and Teodoro, Orlando M. N. D. and Romčević, Nebojša Ž. and Ivanović, Nenad",
year = "2017",
abstract = "Using X-ray induced Photoelectron Spectroscopy, Time of Flight Secondary Ion Mass Spectrometry and Atomic Force Microscopy we have investigated elemental composition, structure and oxidation process taking place at the surfaces of polycrystalline Cd0.99Fe0.01Te0.97Se0.03 and Cd0.95Mn0.05Te0.97Se0.03 systems stored in ambient conditions. The surface oxidation destroys the native CdTe matrix and provokes substantial atomic rearrangement in the first few atomic layers. The near surface region of both systems is enriched in Cd and to some extent Te-deficient, but the surface structure, morphology and the native oxide composition are all found to be considerably different. In Cd0.99Fe0.01Te0.97Se0.03 system both Fe and Se dopants diffuse into the bulk and oxidation of its surface results in formation of a thin CdTeO3 layer which covers the CdTe matrix. In Cd0.95Mn0.05Te0.97Se0.03 system oxygen-rich atmosphere triggers Mn and Se out diffusion and the nonuniform oxide layer predominantly consists of MnO and a small amount of Te-oxide which both lay underneath a thin layer of metallic Cd segregated at the top of the surface. (C) 2016 Elsevier B.V. All rights reserved.",
journal = "Materials Chemistry and Physics",
title = "Surface composition of Cd1-xFe(Mn)(x)Te1-ySey systems exposed to air",
volume = "189",
pages = "35-43",
doi = "10.1016/j.matchemphys.2016.12.029"
}

Bundaleski, N., Radisavljević, I., Trigueiro, J., Tolstogouzov, A., Rakočević, Z. Lj., Medić, M., Teodoro, O. M. N. D., Romčević, N. Ž.,& Ivanović, N.. (2017). Surface composition of Cd1-xFe(Mn)(x)Te1-ySey systems exposed to air. in Materials Chemistry and Physics, 189, 35-43.
https://doi.org/10.1016/j.matchemphys.2016.12.029

Bundaleski N, Radisavljević I, Trigueiro J, Tolstogouzov A, Rakočević ZL, Medić M, Teodoro OMND, Romčević NŽ, Ivanović N. Surface composition of Cd1-xFe(Mn)(x)Te1-ySey systems exposed to air. in Materials Chemistry and Physics. 2017;189:35-43.
doi:10.1016/j.matchemphys.2016.12.029 .

Bundaleski, Nenad, Radisavljević, Ivana, Trigueiro, Joao, Tolstogouzov, Alexander, Rakočević, Zlatko Lj., Medić, Mirjana, Teodoro, Orlando M. N. D., Romčević, Nebojša Ž., Ivanović, Nenad, "Surface composition of Cd1-xFe(Mn)(x)Te1-ySey systems exposed to air" in Materials Chemistry and Physics, 189 (2017):35-43,
https://doi.org/10.1016/j.matchemphys.2016.12.029 . .

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  - 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 . .

TY  - JOUR
AU  - Mamula-Tartalja, Danica
AU  - Kuzmanović, Bojana
AU  - Bojanić, Slobodan
AU  - Radisavljević, Ivana
AU  - Ivanović, Nenad
PY  - 2016
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/973
AB  - Coating of nanoparticles by various molecules is promising way to modify their surfaces and extend their bio-functionality, and infrared (IR), and spectroscopy of electronic transitions at ultraviolet and visible (UV/VIS) wavelengths are suitable techniques to investigate details of their attachment at nanoparticle surface. In the present work structure and optical properties of dextran, chitosan, oleic acid and poly(ethylene glycol) have been investigated by semi-empirical quantum mechanics, and ab initio Hartree-Fock calculations using the HyperChem (R) software package (http://www.hyper.com). The equilibrium conformations, IR, and UV/VIS spectra of molecules of various lengths, before and after their attachment to the magnetite (111) surface are determined, and IR modes and UV/VIS transitions that change the most upon the molecules attachment identified. The results are compared to the existing experimental data and the results of similar calculations, and possible implications for biological applications of nanoparticles coated with the investigated molecules have been discussed.
PB  - Springer
T2  - Optical and Quantum Electronics
T1  - Calculations of optical properties of some molecules suitable for coating of nanoparticles for biological applications
VL  - 48
IS  - 4
DO  - 10.1007/s11082-016-0513-2
ER  - 

@article{
author = "Mamula-Tartalja, Danica and Kuzmanović, Bojana and Bojanić, Slobodan and Radisavljević, Ivana and Ivanović, Nenad",
year = "2016",
abstract = "Coating of nanoparticles by various molecules is promising way to modify their surfaces and extend their bio-functionality, and infrared (IR), and spectroscopy of electronic transitions at ultraviolet and visible (UV/VIS) wavelengths are suitable techniques to investigate details of their attachment at nanoparticle surface. In the present work structure and optical properties of dextran, chitosan, oleic acid and poly(ethylene glycol) have been investigated by semi-empirical quantum mechanics, and ab initio Hartree-Fock calculations using the HyperChem (R) software package (http://www.hyper.com). The equilibrium conformations, IR, and UV/VIS spectra of molecules of various lengths, before and after their attachment to the magnetite (111) surface are determined, and IR modes and UV/VIS transitions that change the most upon the molecules attachment identified. The results are compared to the existing experimental data and the results of similar calculations, and possible implications for biological applications of nanoparticles coated with the investigated molecules have been discussed.",
publisher = "Springer",
journal = "Optical and Quantum Electronics",
title = "Calculations of optical properties of some molecules suitable for coating of nanoparticles for biological applications",
volume = "48",
number = "4",
doi = "10.1007/s11082-016-0513-2"
}

Mamula-Tartalja, D., Kuzmanović, B., Bojanić, S., Radisavljević, I.,& Ivanović, N.. (2016). Calculations of optical properties of some molecules suitable for coating of nanoparticles for biological applications. in Optical and Quantum Electronics
Springer., 48(4).
https://doi.org/10.1007/s11082-016-0513-2

Mamula-Tartalja D, Kuzmanović B, Bojanić S, Radisavljević I, Ivanović N. Calculations of optical properties of some molecules suitable for coating of nanoparticles for biological applications. in Optical and Quantum Electronics. 2016;48(4).
doi:10.1007/s11082-016-0513-2 .

Mamula-Tartalja, Danica, Kuzmanović, Bojana, Bojanić, Slobodan, Radisavljević, Ivana, Ivanović, Nenad, "Calculations of optical properties of some molecules suitable for coating of nanoparticles for biological applications" in Optical and Quantum Electronics, 48, no. 4 (2016),
https://doi.org/10.1007/s11082-016-0513-2 . .

TY  - CONF
AU  - Mamula Tartalja, Danica
AU  - Kuzmanović, Bojana
AU  - Bojanić, Slobodan
AU  - Radisavljević, Ivana
AU  - Ivanović, Nenad
PY  - 2015
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11311
PB  - Belgrade : Vinča Institute of Nuclear Sciences, University of Belgrade
C3  - V International School and Conference on Photonics PHOTONICA
T1  - Calculations of optical properties of some molecules suitable for coating of nanoparticles for biological applications
SP  - 151
EP  - 151
UR  - https://hdl.handle.net/21.15107/rcub_vinar_11311
ER  - 

@conference{
author = "Mamula Tartalja, Danica and Kuzmanović, Bojana and Bojanić, Slobodan and Radisavljević, Ivana and Ivanović, Nenad",
year = "2015",
publisher = "Belgrade : Vinča Institute of Nuclear Sciences, University of Belgrade",
journal = "V International School and Conference on Photonics PHOTONICA",
title = "Calculations of optical properties of some molecules suitable for coating of nanoparticles for biological applications",
pages = "151-151",
url = "https://hdl.handle.net/21.15107/rcub_vinar_11311"
}

Mamula Tartalja, D., Kuzmanović, B., Bojanić, S., Radisavljević, I.,& Ivanović, N.. (2015). Calculations of optical properties of some molecules suitable for coating of nanoparticles for biological applications. in V International School and Conference on Photonics PHOTONICA
Belgrade : Vinča Institute of Nuclear Sciences, University of Belgrade., 151-151.
https://hdl.handle.net/21.15107/rcub_vinar_11311

Mamula Tartalja D, Kuzmanović B, Bojanić S, Radisavljević I, Ivanović N. Calculations of optical properties of some molecules suitable for coating of nanoparticles for biological applications. in V International School and Conference on Photonics PHOTONICA. 2015;:151-151.
https://hdl.handle.net/21.15107/rcub_vinar_11311 .

Mamula Tartalja, Danica, Kuzmanović, Bojana, Bojanić, Slobodan, Radisavljević, Ivana, Ivanović, Nenad, "Calculations of optical properties of some molecules suitable for coating of nanoparticles for biological applications" in V International School and Conference on Photonics PHOTONICA (2015):151-151,
https://hdl.handle.net/21.15107/rcub_vinar_11311 .

TY  - JOUR
AU  - Radisavljević, Ivana
AU  - Novaković, Nikola
AU  - Romčević, Nebojša Ž.
AU  - Mitrić, Miodrag
AU  - Kuzmanović, Bojana
AU  - Bojanić, Slobodan
AU  - Ivanović, Nenad
PY  - 2015
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/840
AB  - Local electronic and structural features around Mn in Cd1-xMnxTe0.97Se0.03 (x = 0.02; 0.05; 0.1; y = 0.03) were studied by means of X-ray Absorption Fine Structure (XAFS) techniques. Manganese ions with an average valence 2+, are found to be well incorporated into the host CdTe lattice, with clear preference for Te atoms as the first neighbors. However, Mn and Te are found to form two essentially different types of bonds, one short, strong and directional (cubic MnTe-alike bond), and three much longer, predominantly ionic in nature (hexagonal MnTe-alike bonds), thereby distorting the tetrahedral coordination around Mn. The origin of peculiar Mn Te bonds distribution and details of their nature and strength are further elaborated by employing the first principle electronic structure calculations. That way a thorough insight in impact of the Mn Te bond length variation on the electronic structure of the compound is obtained. The relations established between the local structures and electronic properties offer a reliable procedure for detailed analysis of the structural and electronic consequences of the 3d-transition metals (TM) incorporation in II-VI semiconductor host. Clear distinction between various influences makes the procedure easily adoptable also to the studies of TM impurities in other semiconductors. (C) 2015 Elsevier B.V. All rights reserved.
PB  - Elsevier
T2  - Materials Chemistry and Physics
T1  - Electronic aspects of formation and properties of local structures around Mn in Cd1-xMnxTe1-ySey
VL  - 167
SP  - 236
EP  - 245
DO  - 10.1016/j.matchemphys.2015.10.038
ER  - 

@article{
author = "Radisavljević, Ivana and Novaković, Nikola and Romčević, Nebojša Ž. and Mitrić, Miodrag and Kuzmanović, Bojana and Bojanić, Slobodan and Ivanović, Nenad",
year = "2015",
abstract = "Local electronic and structural features around Mn in Cd1-xMnxTe0.97Se0.03 (x = 0.02; 0.05; 0.1; y = 0.03) were studied by means of X-ray Absorption Fine Structure (XAFS) techniques. Manganese ions with an average valence 2+, are found to be well incorporated into the host CdTe lattice, with clear preference for Te atoms as the first neighbors. However, Mn and Te are found to form two essentially different types of bonds, one short, strong and directional (cubic MnTe-alike bond), and three much longer, predominantly ionic in nature (hexagonal MnTe-alike bonds), thereby distorting the tetrahedral coordination around Mn. The origin of peculiar Mn Te bonds distribution and details of their nature and strength are further elaborated by employing the first principle electronic structure calculations. That way a thorough insight in impact of the Mn Te bond length variation on the electronic structure of the compound is obtained. The relations established between the local structures and electronic properties offer a reliable procedure for detailed analysis of the structural and electronic consequences of the 3d-transition metals (TM) incorporation in II-VI semiconductor host. Clear distinction between various influences makes the procedure easily adoptable also to the studies of TM impurities in other semiconductors. (C) 2015 Elsevier B.V. All rights reserved.",
publisher = "Elsevier",
journal = "Materials Chemistry and Physics",
title = "Electronic aspects of formation and properties of local structures around Mn in Cd1-xMnxTe1-ySey",
volume = "167",
pages = "236-245",
doi = "10.1016/j.matchemphys.2015.10.038"
}

Radisavljević, I., Novaković, N., Romčević, N. Ž., Mitrić, M., Kuzmanović, B., Bojanić, S.,& Ivanović, N.. (2015). Electronic aspects of formation and properties of local structures around Mn in Cd1-xMnxTe1-ySey. in Materials Chemistry and Physics
Elsevier., 167, 236-245.
https://doi.org/10.1016/j.matchemphys.2015.10.038

Radisavljević I, Novaković N, Romčević NŽ, Mitrić M, Kuzmanović B, Bojanić S, Ivanović N. Electronic aspects of formation and properties of local structures around Mn in Cd1-xMnxTe1-ySey. in Materials Chemistry and Physics. 2015;167:236-245.
doi:10.1016/j.matchemphys.2015.10.038 .

Radisavljević, Ivana, Novaković, Nikola, Romčević, Nebojša Ž., Mitrić, Miodrag, Kuzmanović, Bojana, Bojanić, Slobodan, Ivanović, Nenad, "Electronic aspects of formation and properties of local structures around Mn in Cd1-xMnxTe1-ySey" in Materials Chemistry and Physics, 167 (2015):236-245,
https://doi.org/10.1016/j.matchemphys.2015.10.038 . .

TY  - JOUR
AU  - Radisavljević, Ivana
AU  - Novaković, Nikola
AU  - Mahnke, Heinz-Eberhard
AU  - Romčević, Nebojša Ž.
AU  - Slankamenac, Miloš P.
AU  - Sekulić, Dalibor L.
AU  - Ivanović, Nenad
PY  - 2015
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/830
AB  - Structural aspects of Cr and Ni incorporation into the PbTe lattice are studied by means of Extended X-ray Absorption Fine Structure (EXAFS). EXAFS measurements enabled to get exact information on Pb and Te local structural features and their thermal evolution. The obtained results also revealed that by distorting their local environment, impurity atoms (Cr, Ni) add to high inherent disorder already present in the host PbTe. Larger anharmonicity of the Pb-Te bond and larger atomic thermal parameters observed in PbTe(Cr, Ni) could be of interest for thermoelectronics applications since they are both expected to reduce the thermal conductivity.
PB  - Springer Nature
T2  - Journal of Materials Science: Materials in Electronics
T1  - Influence on Cr and Ni doping on PbTe local structural properties
VL  - 26
IS  - 12
SP  - 10020
EP  - 10026
DO  - 10.1007/s10854-015-3682-z
ER  - 

@article{
author = "Radisavljević, Ivana and Novaković, Nikola and Mahnke, Heinz-Eberhard and Romčević, Nebojša Ž. and Slankamenac, Miloš P. and Sekulić, Dalibor L. and Ivanović, Nenad",
year = "2015",
abstract = "Structural aspects of Cr and Ni incorporation into the PbTe lattice are studied by means of Extended X-ray Absorption Fine Structure (EXAFS). EXAFS measurements enabled to get exact information on Pb and Te local structural features and their thermal evolution. The obtained results also revealed that by distorting their local environment, impurity atoms (Cr, Ni) add to high inherent disorder already present in the host PbTe. Larger anharmonicity of the Pb-Te bond and larger atomic thermal parameters observed in PbTe(Cr, Ni) could be of interest for thermoelectronics applications since they are both expected to reduce the thermal conductivity.",
publisher = "Springer Nature",
journal = "Journal of Materials Science: Materials in Electronics",
title = "Influence on Cr and Ni doping on PbTe local structural properties",
volume = "26",
number = "12",
pages = "10020-10026",
doi = "10.1007/s10854-015-3682-z"
}

Radisavljević, I., Novaković, N., Mahnke, H., Romčević, N. Ž., Slankamenac, M. P., Sekulić, D. L.,& Ivanović, N.. (2015). Influence on Cr and Ni doping on PbTe local structural properties. in Journal of Materials Science: Materials in Electronics
Springer Nature., 26(12), 10020-10026.
https://doi.org/10.1007/s10854-015-3682-z

Radisavljević I, Novaković N, Mahnke H, Romčević NŽ, Slankamenac MP, Sekulić DL, Ivanović N. Influence on Cr and Ni doping on PbTe local structural properties. in Journal of Materials Science: Materials in Electronics. 2015;26(12):10020-10026.
doi:10.1007/s10854-015-3682-z .

Radisavljević, Ivana, Novaković, Nikola, Mahnke, Heinz-Eberhard, Romčević, Nebojša Ž., Slankamenac, Miloš P., Sekulić, Dalibor L., Ivanović, Nenad, "Influence on Cr and Ni doping on PbTe local structural properties" in Journal of Materials Science: Materials in Electronics, 26, no. 12 (2015):10020-10026,
https://doi.org/10.1007/s10854-015-3682-z . .

TY  - JOUR
AU  - Radisavljević, Ivana
AU  - Trigueiro, J.
AU  - Bundaleski, Nenad
AU  - Medić, Mirjana
AU  - Romčević, Nebojša Ž.
AU  - Teodoro, Orlando M. N. D.
AU  - Mitrić, Miodrag
AU  - Ivanović, Nenad
PY  - 2015
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/425
AB  - Local structures and electronic properties of II-VI quaternary Zn0.98Fe0.02Te0.91Se0.09 mixed crystal are studied by X-ray absorption fine structure (XAFS) while the surface composition and its oxidation in air are studied by X-ray photoelectron spectroscopy (XPS). That way the surface stability and its modification with respect to the bulk are elucidated. The effects of surface oxidation on rearrangement and segregation of constituent atomic species at the surface are revealed and possible mechanisms of oxygen adsorption are discussed. (C) 2015 Elsevier B.V. All rights reserved.
T2  - Journal of Alloys and Compounds
T1  - XAFS and XPS analysis of Zn0.98Fe0.02Te0.91Se0.09 semiconductor
VL  - 632
SP  - 17
EP  - 22
DO  - 10.1016/j.jallcom.2015.01.169
ER  - 

@article{
author = "Radisavljević, Ivana and Trigueiro, J. and Bundaleski, Nenad and Medić, Mirjana and Romčević, Nebojša Ž. and Teodoro, Orlando M. N. D. and Mitrić, Miodrag and Ivanović, Nenad",
year = "2015",
abstract = "Local structures and electronic properties of II-VI quaternary Zn0.98Fe0.02Te0.91Se0.09 mixed crystal are studied by X-ray absorption fine structure (XAFS) while the surface composition and its oxidation in air are studied by X-ray photoelectron spectroscopy (XPS). That way the surface stability and its modification with respect to the bulk are elucidated. The effects of surface oxidation on rearrangement and segregation of constituent atomic species at the surface are revealed and possible mechanisms of oxygen adsorption are discussed. (C) 2015 Elsevier B.V. All rights reserved.",
journal = "Journal of Alloys and Compounds",
title = "XAFS and XPS analysis of Zn0.98Fe0.02Te0.91Se0.09 semiconductor",
volume = "632",
pages = "17-22",
doi = "10.1016/j.jallcom.2015.01.169"
}

Radisavljević, I., Trigueiro, J., Bundaleski, N., Medić, M., Romčević, N. Ž., Teodoro, O. M. N. D., Mitrić, M.,& Ivanović, N.. (2015). XAFS and XPS analysis of Zn0.98Fe0.02Te0.91Se0.09 semiconductor. in Journal of Alloys and Compounds, 632, 17-22.
https://doi.org/10.1016/j.jallcom.2015.01.169

Radisavljević I, Trigueiro J, Bundaleski N, Medić M, Romčević NŽ, Teodoro OMND, Mitrić M, Ivanović N. XAFS and XPS analysis of Zn0.98Fe0.02Te0.91Se0.09 semiconductor. in Journal of Alloys and Compounds. 2015;632:17-22.
doi:10.1016/j.jallcom.2015.01.169 .

Radisavljević, Ivana, Trigueiro, J., Bundaleski, Nenad, Medić, Mirjana, Romčević, Nebojša Ž., Teodoro, Orlando M. N. D., Mitrić, Miodrag, Ivanović, Nenad, "XAFS and XPS analysis of Zn0.98Fe0.02Te0.91Se0.09 semiconductor" in Journal of Alloys and Compounds, 632 (2015):17-22,
https://doi.org/10.1016/j.jallcom.2015.01.169 . .

TY  - JOUR
AU  - Mamula-Tartalja, Danica
AU  - Vulićević, Lj.
AU  - Radisavljević, Ivana
AU  - Mitrić, Miodrag
AU  - Andrić, Velibor
AU  - Kuzmanović, Bojana
AU  - Medić, Mirjana
AU  - Ivanović, Nenad
PY  - 2014
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5840
AB  - Electrochemical (EC) synthesis of magnetite (Fe3O4) nano-powders of specific characteristics is investigated in the range of current densities of J=200-1000 mA/dm(2), and temperatures of T=295-361 K. The obtained powders and their modification upon heating in air and argon atmosphere are examined by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmition electron microscopy (TEM), laser light scattering particle size distribution measurements, magnetic measurements by Faraday method and SQUID, and measurements of specific electrical resistivity. It has been established that structure, morphology, magnetic and electrical properties of the powders can be adjusted by using adequate EC synthesis conditions, and/or by their subsequent heating in the appropriate atmosphere. The temperature induced magnetite reordering, the magnetite to maghemite (gamma-Fe2O3), and the maghemite to haematite (alpha-Fe2O3) phase transitions were examined, too. (C) 2013 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
T2  - Ceramics International
T1  - Effects of manufacturing conditions and heating on properties of electrochemically produced magnetite nano-powders
VL  - 40
IS  - 2
SP  - 3517
EP  - 3525
DO  - 10.1016/j.ceramint.2013.09.077
ER  - 

@article{
author = "Mamula-Tartalja, Danica and Vulićević, Lj. and Radisavljević, Ivana and Mitrić, Miodrag and Andrić, Velibor and Kuzmanović, Bojana and Medić, Mirjana and Ivanović, Nenad",
year = "2014",
abstract = "Electrochemical (EC) synthesis of magnetite (Fe3O4) nano-powders of specific characteristics is investigated in the range of current densities of J=200-1000 mA/dm(2), and temperatures of T=295-361 K. The obtained powders and their modification upon heating in air and argon atmosphere are examined by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmition electron microscopy (TEM), laser light scattering particle size distribution measurements, magnetic measurements by Faraday method and SQUID, and measurements of specific electrical resistivity. It has been established that structure, morphology, magnetic and electrical properties of the powders can be adjusted by using adequate EC synthesis conditions, and/or by their subsequent heating in the appropriate atmosphere. The temperature induced magnetite reordering, the magnetite to maghemite (gamma-Fe2O3), and the maghemite to haematite (alpha-Fe2O3) phase transitions were examined, too. (C) 2013 Elsevier Ltd and Techna Group S.r.l. All rights reserved.",
journal = "Ceramics International",
title = "Effects of manufacturing conditions and heating on properties of electrochemically produced magnetite nano-powders",
volume = "40",
number = "2",
pages = "3517-3525",
doi = "10.1016/j.ceramint.2013.09.077"
}

Mamula-Tartalja, D., Vulićević, Lj., Radisavljević, I., Mitrić, M., Andrić, V., Kuzmanović, B., Medić, M.,& Ivanović, N.. (2014). Effects of manufacturing conditions and heating on properties of electrochemically produced magnetite nano-powders. in Ceramics International, 40(2), 3517-3525.
https://doi.org/10.1016/j.ceramint.2013.09.077

Mamula-Tartalja D, Vulićević L, Radisavljević I, Mitrić M, Andrić V, Kuzmanović B, Medić M, Ivanović N. Effects of manufacturing conditions and heating on properties of electrochemically produced magnetite nano-powders. in Ceramics International. 2014;40(2):3517-3525.
doi:10.1016/j.ceramint.2013.09.077 .

Mamula-Tartalja, Danica, Vulićević, Lj., Radisavljević, Ivana, Mitrić, Miodrag, Andrić, Velibor, Kuzmanović, Bojana, Medić, Mirjana, Ivanović, Nenad, "Effects of manufacturing conditions and heating on properties of electrochemically produced magnetite nano-powders" in Ceramics International, 40, no. 2 (2014):3517-3525,
https://doi.org/10.1016/j.ceramint.2013.09.077 . .

TY  - JOUR
AU  - Paskaš Mamula, Bojana
AU  - Grbović-Novaković, Jasmina
AU  - Radisavljević, Ivana
AU  - Ivanović, Nenad
AU  - Novaković, Nikola
PY  - 2014
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5966
AB  - Ab initio electronic structure calculations of the Mg15TMH32 (TM - transition metals - 6.25 at.%) systems for the entire 3d TM series have been performed using full-potential (linearized) augmented plane waves with addition of local orbitals (FP-LAPW + LO and APW + lo) as implemented in WIEN2k code and projected augmented waves (PAW) method using Abinit code. Details of bonding and mechanism of the TM impurities influence on destabilization of MgH2 were established by investigation of changes of electronic structure after the TM impurities insertion into MgH2 and by using the atoms in molecules (AIM) Baders charge density topology analysis. The obtained trends of all calculated observables show that along the 3d series TMs accomplish different kinds of bonding with nearest and next-nearest neighbor hydrogen atoms that in general weaken related Mg-H bonds and destabilize the surrounding MgH2 matrix. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
T2  - International Journal of Hydrogen Energy
T1  - Electronic structure and charge distribution topology of MgH2 doped with 3d transition metals
VL  - 39
IS  - 11
SP  - 5874
EP  - 5887
DO  - 10.1016/j.ijhydene.2014.01.172
ER  - 

@article{
author = "Paskaš Mamula, Bojana and Grbović-Novaković, Jasmina and Radisavljević, Ivana and Ivanović, Nenad and Novaković, Nikola",
year = "2014",
abstract = "Ab initio electronic structure calculations of the Mg15TMH32 (TM - transition metals - 6.25 at.%) systems for the entire 3d TM series have been performed using full-potential (linearized) augmented plane waves with addition of local orbitals (FP-LAPW + LO and APW + lo) as implemented in WIEN2k code and projected augmented waves (PAW) method using Abinit code. Details of bonding and mechanism of the TM impurities influence on destabilization of MgH2 were established by investigation of changes of electronic structure after the TM impurities insertion into MgH2 and by using the atoms in molecules (AIM) Baders charge density topology analysis. The obtained trends of all calculated observables show that along the 3d series TMs accomplish different kinds of bonding with nearest and next-nearest neighbor hydrogen atoms that in general weaken related Mg-H bonds and destabilize the surrounding MgH2 matrix. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.",
journal = "International Journal of Hydrogen Energy",
title = "Electronic structure and charge distribution topology of MgH2 doped with 3d transition metals",
volume = "39",
number = "11",
pages = "5874-5887",
doi = "10.1016/j.ijhydene.2014.01.172"
}

Paskaš Mamula, B., Grbović-Novaković, J., Radisavljević, I., Ivanović, N.,& Novaković, N.. (2014). Electronic structure and charge distribution topology of MgH2 doped with 3d transition metals. in International Journal of Hydrogen Energy, 39(11), 5874-5887.
https://doi.org/10.1016/j.ijhydene.2014.01.172

Paskaš Mamula B, Grbović-Novaković J, Radisavljević I, Ivanović N, Novaković N. Electronic structure and charge distribution topology of MgH2 doped with 3d transition metals. in International Journal of Hydrogen Energy. 2014;39(11):5874-5887.
doi:10.1016/j.ijhydene.2014.01.172 .

Paskaš Mamula, Bojana, Grbović-Novaković, Jasmina, Radisavljević, Ivana, Ivanović, Nenad, Novaković, Nikola, "Electronic structure and charge distribution topology of MgH2 doped with 3d transition metals" in International Journal of Hydrogen Energy, 39, no. 11 (2014):5874-5887,
https://doi.org/10.1016/j.ijhydene.2014.01.172 . .

TY  - JOUR
AU  - Radisavljević, Ivana
AU  - Novaković, Nikola
AU  - Mahnke, Heinz-Eberhard
AU  - Romčević, Nebojša Ž.
AU  - Medić, Mirjana
AU  - Paskaš Mamula, Bojana
AU  - Ivanović, Nenad
PY  - 2013
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5376
AB  - The X-ray absorption near edge structure technique was employed for studies of coordination environments and valence states of impurity atoms (Mn, In and Ga) in a series of narrow band gap PbTe-based semiconductors. Impurity atoms absorption data were analysed with the help of the Real Space Full Multiple Scattering FEFF8.2 code. These results are complemented with band structure calculations using the full potential augmented plane waves method extended by local orbitals using WIEN2k code. Impurity atoms are found to be off-centred from the regular lattice positions each in a specific manner, which leads to formation of significantly different local structures from that expected in host PbTe. Observed structural modifications are accompanied by the change in the impurity atoms valence states. These findings support and extend our previous results obtained with various techniques on this class of materials.
T2  - International Journal of Materials Research
T1  - X-ray absorption near edge structure studies of Pb1-xMnxTe(In, Ga) systems
VL  - 104
IS  - 3
SP  - 319
EP  - 325
DO  - 10.3139/146.110857
ER  - 

@article{
author = "Radisavljević, Ivana and Novaković, Nikola and Mahnke, Heinz-Eberhard and Romčević, Nebojša Ž. and Medić, Mirjana and Paskaš Mamula, Bojana and Ivanović, Nenad",
year = "2013",
abstract = "The X-ray absorption near edge structure technique was employed for studies of coordination environments and valence states of impurity atoms (Mn, In and Ga) in a series of narrow band gap PbTe-based semiconductors. Impurity atoms absorption data were analysed with the help of the Real Space Full Multiple Scattering FEFF8.2 code. These results are complemented with band structure calculations using the full potential augmented plane waves method extended by local orbitals using WIEN2k code. Impurity atoms are found to be off-centred from the regular lattice positions each in a specific manner, which leads to formation of significantly different local structures from that expected in host PbTe. Observed structural modifications are accompanied by the change in the impurity atoms valence states. These findings support and extend our previous results obtained with various techniques on this class of materials.",
journal = "International Journal of Materials Research",
title = "X-ray absorption near edge structure studies of Pb1-xMnxTe(In, Ga) systems",
volume = "104",
number = "3",
pages = "319-325",
doi = "10.3139/146.110857"
}

Radisavljević, I., Novaković, N., Mahnke, H., Romčević, N. Ž., Medić, M., Paskaš Mamula, B.,& Ivanović, N.. (2013). X-ray absorption near edge structure studies of Pb1-xMnxTe(In, Ga) systems. in International Journal of Materials Research, 104(3), 319-325.
https://doi.org/10.3139/146.110857

Radisavljević I, Novaković N, Mahnke H, Romčević NŽ, Medić M, Paskaš Mamula B, Ivanović N. X-ray absorption near edge structure studies of Pb1-xMnxTe(In, Ga) systems. in International Journal of Materials Research. 2013;104(3):319-325.
doi:10.3139/146.110857 .

Radisavljević, Ivana, Novaković, Nikola, Mahnke, Heinz-Eberhard, Romčević, Nebojša Ž., Medić, Mirjana, Paskaš Mamula, Bojana, Ivanović, Nenad, "X-ray absorption near edge structure studies of Pb1-xMnxTe(In, Ga) systems" in International Journal of Materials Research, 104, no. 3 (2013):319-325,
https://doi.org/10.3139/146.110857 . .

TY  - JOUR
AU  - Radisavljević, Ivana
AU  - Ivanović, Nenad
AU  - Novaković, Nikola
AU  - Romčević, Nebojša Ž.
AU  - Mitrić, Miodrag
AU  - Andrić, Velibor
AU  - Mahnke, Heinz-Eberhard
PY  - 2013
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5671
AB  - The paper presents the extended results of structural investigations of Pb0.9Mn0.1Te, and Pb0.9Mn0.1Te systems doped with In (2 at.%) and Ga (4 at.%) by means of EXAFS (extended X-ray absorption fine structure) technique. EXAFS measurements performed at Te-, Mn-, In- and Ga-K absorption edges at different temperatures are complemented with X-ray diffraction, flame absorption and X-ray fluorescence analysis. That way the complete information about elemental concentration; crystal structure; local environment around constitutive and impurity atoms (including their displacements from the regular lattice positions); local and long-range ordering; and the overall influence of doping on the host crystal structure is derived. The obtained results represent an important step towards understanding the structural aspects of doping of lead telluride-based semiconductors with Mn and group III elements and their connection to electronic and optical phenomena important for their applications.
T2  - Journal of Materials Science
T1  - Structural aspects of changes induced in PbTe by doping with Mn, In and Ga
VL  - 48
IS  - 23
SP  - 8084
EP  - 8100
DO  - 10.1007/s10853-013-7621-1
ER  - 

@article{
author = "Radisavljević, Ivana and Ivanović, Nenad and Novaković, Nikola and Romčević, Nebojša Ž. and Mitrić, Miodrag and Andrić, Velibor and Mahnke, Heinz-Eberhard",
year = "2013",
abstract = "The paper presents the extended results of structural investigations of Pb0.9Mn0.1Te, and Pb0.9Mn0.1Te systems doped with In (2 at.%) and Ga (4 at.%) by means of EXAFS (extended X-ray absorption fine structure) technique. EXAFS measurements performed at Te-, Mn-, In- and Ga-K absorption edges at different temperatures are complemented with X-ray diffraction, flame absorption and X-ray fluorescence analysis. That way the complete information about elemental concentration; crystal structure; local environment around constitutive and impurity atoms (including their displacements from the regular lattice positions); local and long-range ordering; and the overall influence of doping on the host crystal structure is derived. The obtained results represent an important step towards understanding the structural aspects of doping of lead telluride-based semiconductors with Mn and group III elements and their connection to electronic and optical phenomena important for their applications.",
journal = "Journal of Materials Science",
title = "Structural aspects of changes induced in PbTe by doping with Mn, In and Ga",
volume = "48",
number = "23",
pages = "8084-8100",
doi = "10.1007/s10853-013-7621-1"
}

Radisavljević, I., Ivanović, N., Novaković, N., Romčević, N. Ž., Mitrić, M., Andrić, V.,& Mahnke, H.. (2013). Structural aspects of changes induced in PbTe by doping with Mn, In and Ga. in Journal of Materials Science, 48(23), 8084-8100.
https://doi.org/10.1007/s10853-013-7621-1

Radisavljević I, Ivanović N, Novaković N, Romčević NŽ, Mitrić M, Andrić V, Mahnke H. Structural aspects of changes induced in PbTe by doping with Mn, In and Ga. in Journal of Materials Science. 2013;48(23):8084-8100.
doi:10.1007/s10853-013-7621-1 .

Radisavljević, Ivana, Ivanović, Nenad, Novaković, Nikola, Romčević, Nebojša Ž., Mitrić, Miodrag, Andrić, Velibor, Mahnke, Heinz-Eberhard, "Structural aspects of changes induced in PbTe by doping with Mn, In and Ga" in Journal of Materials Science, 48, no. 23 (2013):8084-8100,
https://doi.org/10.1007/s10853-013-7621-1 . .

TY  - CONF
AU  - Radisavljević, Ivana
AU  - Novaković, Nikola
AU  - Romčević, Nebojša Ž.
AU  - Ivanović, Nenad
PY  - 2013
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/7004
AB  - X-ray Absorption Fine Structure (XAFS) technique was employed to study local electronic and structural features of Mn ions incorporated in Cd0.98Mn0.02Te0.97Se0.03. XAFS measurements performed at Mn K edge revealed that manganese Mn(II) ions are well incorporated into the host CdTe lattice (cubic zinc-blende structure type) and their immediate surrounding is found to be composed exclusively of Te atoms. The observed preference of Mn ions distribution around Te opposes earlier observations on the similar systems, where preferential Mn-Se over Mn-Te paring was found.
C3  - Journal of Physics: Conference Series
T1  - Local and electronic structure around manganese in Cd0.98Mn0.02Te0.97Se0.03 studied by XAFS
VL  - 430
DO  - 10.1088/1742-6596/430/1/012083
ER  - 

@conference{
author = "Radisavljević, Ivana and Novaković, Nikola and Romčević, Nebojša Ž. and Ivanović, Nenad",
year = "2013",
abstract = "X-ray Absorption Fine Structure (XAFS) technique was employed to study local electronic and structural features of Mn ions incorporated in Cd0.98Mn0.02Te0.97Se0.03. XAFS measurements performed at Mn K edge revealed that manganese Mn(II) ions are well incorporated into the host CdTe lattice (cubic zinc-blende structure type) and their immediate surrounding is found to be composed exclusively of Te atoms. The observed preference of Mn ions distribution around Te opposes earlier observations on the similar systems, where preferential Mn-Se over Mn-Te paring was found.",
journal = "Journal of Physics: Conference Series",
title = "Local and electronic structure around manganese in Cd0.98Mn0.02Te0.97Se0.03 studied by XAFS",
volume = "430",
doi = "10.1088/1742-6596/430/1/012083"
}

Radisavljević, I., Novaković, N., Romčević, N. Ž.,& Ivanović, N.. (2013). Local and electronic structure around manganese in Cd0.98Mn0.02Te0.97Se0.03 studied by XAFS. in Journal of Physics: Conference Series, 430.
https://doi.org/10.1088/1742-6596/430/1/012083

Radisavljević I, Novaković N, Romčević NŽ, Ivanović N. Local and electronic structure around manganese in Cd0.98Mn0.02Te0.97Se0.03 studied by XAFS. in Journal of Physics: Conference Series. 2013;430.
doi:10.1088/1742-6596/430/1/012083 .

Radisavljević, Ivana, Novaković, Nikola, Romčević, Nebojša Ž., Ivanović, Nenad, "Local and electronic structure around manganese in Cd0.98Mn0.02Te0.97Se0.03 studied by XAFS" in Journal of Physics: Conference Series, 430 (2013),
https://doi.org/10.1088/1742-6596/430/1/012083 . .

TY  - JOUR
AU  - Ivanović, Nenad
AU  - Novaković, Nikola
AU  - Radisavljević, Ivana
AU  - Matović, Ljiljana
AU  - Grbović-Novaković, Jasmina
PY  - 2012
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2739
AB  - An approach to various metal hydrides based on electronic principles is presented. The effective medium theory ( EMT) is used to illustrate fundamental aspects of metal-hydrogen interaction and clarify the most important processes taking place during the interaction. The elaboration is extended using the numerous existing results of experiment and calculations, as well as using some new material. In particular, the absorption/desorption of H in the Mg/MgH2 system is analyzed in detail, and all relevant initial structures and processes explained. Reasons for the high stability and slow sorption in this system are noted, and possible solutions proposed. The role of the transition-metal impurities in MgH2 is briefly discussed, and some interesting phenomena, observed in complex intermetallic compounds, are mentioned. The principle mechanism governing the Li-amide/imide transformation is also discussed. Latterly, some perspectives for the metal-hydrides investigation from the electronic point of view are elucidated.
T2  - Crystals
T1  - Electronic Principles of Hydrogen Incorporation and Dynamics in Metal Hydrides
VL  - 2
IS  - 3
SP  - 1261
EP  - 1282
DO  - 10.3390/cryst2031261
ER  - 

@article{
author = "Ivanović, Nenad and Novaković, Nikola and Radisavljević, Ivana and Matović, Ljiljana and Grbović-Novaković, Jasmina",
year = "2012",
abstract = "An approach to various metal hydrides based on electronic principles is presented. The effective medium theory ( EMT) is used to illustrate fundamental aspects of metal-hydrogen interaction and clarify the most important processes taking place during the interaction. The elaboration is extended using the numerous existing results of experiment and calculations, as well as using some new material. In particular, the absorption/desorption of H in the Mg/MgH2 system is analyzed in detail, and all relevant initial structures and processes explained. Reasons for the high stability and slow sorption in this system are noted, and possible solutions proposed. The role of the transition-metal impurities in MgH2 is briefly discussed, and some interesting phenomena, observed in complex intermetallic compounds, are mentioned. The principle mechanism governing the Li-amide/imide transformation is also discussed. Latterly, some perspectives for the metal-hydrides investigation from the electronic point of view are elucidated.",
journal = "Crystals",
title = "Electronic Principles of Hydrogen Incorporation and Dynamics in Metal Hydrides",
volume = "2",
number = "3",
pages = "1261-1282",
doi = "10.3390/cryst2031261"
}

Ivanović, N., Novaković, N., Radisavljević, I., Matović, L.,& Grbović-Novaković, J.. (2012). Electronic Principles of Hydrogen Incorporation and Dynamics in Metal Hydrides. in Crystals, 2(3), 1261-1282.
https://doi.org/10.3390/cryst2031261

Ivanović N, Novaković N, Radisavljević I, Matović L, Grbović-Novaković J. Electronic Principles of Hydrogen Incorporation and Dynamics in Metal Hydrides. in Crystals. 2012;2(3):1261-1282.
doi:10.3390/cryst2031261 .

Ivanović, Nenad, Novaković, Nikola, Radisavljević, Ivana, Matović, Ljiljana, Grbović-Novaković, Jasmina, "Electronic Principles of Hydrogen Incorporation and Dynamics in Metal Hydrides" in Crystals, 2, no. 3 (2012):1261-1282,
https://doi.org/10.3390/cryst2031261 . .

TY  - CONF
AU  - Paskaš Mamula, Bojana
AU  - Medić Ilić, Mirjana
AU  - Kuzmanović, Bojana
AU  - Radisavljević, Ivana
AU  - Ivanović, Nenad
AU  - Novaković, Nikola
PY  - 2012
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11304
C3  - Joint event of 11th Young Researchers’ Conference: Materials Science and Engineering and the 1st European Early Stage Researcher’s Conference on Hydrogen Storage
T1  - Electronic structure and charge topology study of alkali hydrides
SP  - 152
EP  - 152
UR  - https://hdl.handle.net/21.15107/rcub_vinar_11304
ER  - 

@conference{
author = "Paskaš Mamula, Bojana and Medić Ilić, Mirjana and Kuzmanović, Bojana and Radisavljević, Ivana and Ivanović, Nenad and Novaković, Nikola",
year = "2012",
journal = "Joint event of 11th Young Researchers’ Conference: Materials Science and Engineering and the 1st European Early Stage Researcher’s Conference on Hydrogen Storage",
title = "Electronic structure and charge topology study of alkali hydrides",
pages = "152-152",
url = "https://hdl.handle.net/21.15107/rcub_vinar_11304"
}

Paskaš Mamula, B., Medić Ilić, M., Kuzmanović, B., Radisavljević, I., Ivanović, N.,& Novaković, N.. (2012). Electronic structure and charge topology study of alkali hydrides. in Joint event of 11th Young Researchers’ Conference: Materials Science and Engineering and the 1st European Early Stage Researcher’s Conference on Hydrogen Storage, 152-152.
https://hdl.handle.net/21.15107/rcub_vinar_11304

Paskaš Mamula B, Medić Ilić M, Kuzmanović B, Radisavljević I, Ivanović N, Novaković N. Electronic structure and charge topology study of alkali hydrides. in Joint event of 11th Young Researchers’ Conference: Materials Science and Engineering and the 1st European Early Stage Researcher’s Conference on Hydrogen Storage. 2012;:152-152.
https://hdl.handle.net/21.15107/rcub_vinar_11304 .

Paskaš Mamula, Bojana, Medić Ilić, Mirjana, Kuzmanović, Bojana, Radisavljević, Ivana, Ivanović, Nenad, Novaković, Nikola, "Electronic structure and charge topology study of alkali hydrides" in Joint event of 11th Young Researchers’ Conference: Materials Science and Engineering and the 1st European Early Stage Researcher’s Conference on Hydrogen Storage (2012):152-152,
https://hdl.handle.net/21.15107/rcub_vinar_11304 .

TY  - CONF
AU  - Medić Ilić, Mirjana
AU  - Radisavljević, Ivana
AU  - Novaković, Nikola
AU  - Kuzmanović, Bojana
AU  - Paskaš Mamula, Bojana
AU  - Ivanović, Nenad
PY  - 2012
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11303
C3  - Joint event of 11th Young Researchers’ Conference: Materials Science and Engineering and the 1st European Early Stage Researcher’s Conference on Hydrogen Storage
T1  - Local and electronic structure around maganese in multi­component semiconductors
SP  - 99
UR  - https://hdl.handle.net/21.15107/rcub_vinar_11303
ER  - 

@conference{
author = "Medić Ilić, Mirjana and Radisavljević, Ivana and Novaković, Nikola and Kuzmanović, Bojana and Paskaš Mamula, Bojana and Ivanović, Nenad",
year = "2012",
journal = "Joint event of 11th Young Researchers’ Conference: Materials Science and Engineering and the 1st European Early Stage Researcher’s Conference on Hydrogen Storage",
title = "Local and electronic structure around maganese in multi­component semiconductors",
pages = "99",
url = "https://hdl.handle.net/21.15107/rcub_vinar_11303"
}

Medić Ilić, M., Radisavljević, I., Novaković, N., Kuzmanović, B., Paskaš Mamula, B.,& Ivanović, N.. (2012). Local and electronic structure around maganese in multi­component semiconductors. in Joint event of 11th Young Researchers’ Conference: Materials Science and Engineering and the 1st European Early Stage Researcher’s Conference on Hydrogen Storage, 99.
https://hdl.handle.net/21.15107/rcub_vinar_11303

Medić Ilić M, Radisavljević I, Novaković N, Kuzmanović B, Paskaš Mamula B, Ivanović N. Local and electronic structure around maganese in multi­component semiconductors. in Joint event of 11th Young Researchers’ Conference: Materials Science and Engineering and the 1st European Early Stage Researcher’s Conference on Hydrogen Storage. 2012;:99.
https://hdl.handle.net/21.15107/rcub_vinar_11303 .

Medić Ilić, Mirjana, Radisavljević, Ivana, Novaković, Nikola, Kuzmanović, Bojana, Paskaš Mamula, Bojana, Ivanović, Nenad, "Local and electronic structure around maganese in multi­component semiconductors" in Joint event of 11th Young Researchers’ Conference: Materials Science and Engineering and the 1st European Early Stage Researcher’s Conference on Hydrogen Storage (2012):99,
https://hdl.handle.net/21.15107/rcub_vinar_11303 .

TY  - CONF
AU  - Novaković, Nikola
AU  - Radisavljević, Ivana
AU  - Paskaš Mamula, Bojana
AU  - Medić, Mirjana
AU  - Matović, Branko
AU  - Paunović, Novica M.
AU  - Ivanović, Nenad
PY  - 2012
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/6977
AB  - Nanosized powder of ZnO doped with 5 at% of Fe was prepared and characterized by X ray diffractometry, while local atomic arrangements around different absorbing atoms was characterized by EXAFS measurements. Also, existence of significant magnetic moments of absorbant atoms was investigated using XMCD technique, while overall magnetic properties were sampled by magnetometric measurements. To get better insight in mechanisms behind such a subtle effect, ab initio calculations of electronic structure of dopped system has also been performed. Although, calculations predict small magnetic moments on Fe and to small extent on neighbouring atoms, XMCD and magnetic measurements reveal no sign of magnetic ordering in this compound, proving once more the decisive role of preparation technique in obtaining the desired effect.
T1  - Structural Investigation of Zno:Fe Doped System
SP  - 209
EP  - 212
UR  - https://hdl.handle.net/21.15107/rcub_vinar_6977
ER  - 

@conference{
author = "Novaković, Nikola and Radisavljević, Ivana and Paskaš Mamula, Bojana and Medić, Mirjana and Matović, Branko and Paunović, Novica M. and Ivanović, Nenad",
year = "2012",
abstract = "Nanosized powder of ZnO doped with 5 at% of Fe was prepared and characterized by X ray diffractometry, while local atomic arrangements around different absorbing atoms was characterized by EXAFS measurements. Also, existence of significant magnetic moments of absorbant atoms was investigated using XMCD technique, while overall magnetic properties were sampled by magnetometric measurements. To get better insight in mechanisms behind such a subtle effect, ab initio calculations of electronic structure of dopped system has also been performed. Although, calculations predict small magnetic moments on Fe and to small extent on neighbouring atoms, XMCD and magnetic measurements reveal no sign of magnetic ordering in this compound, proving once more the decisive role of preparation technique in obtaining the desired effect.",
title = "Structural Investigation of Zno:Fe Doped System",
pages = "209-212",
url = "https://hdl.handle.net/21.15107/rcub_vinar_6977"
}

Novaković, N., Radisavljević, I., Paskaš Mamula, B., Medić, M., Matović, B., Paunović, N. M.,& Ivanović, N.. (2012). Structural Investigation of Zno:Fe Doped System. , 209-212.
https://hdl.handle.net/21.15107/rcub_vinar_6977

Novaković N, Radisavljević I, Paskaš Mamula B, Medić M, Matović B, Paunović NM, Ivanović N. Structural Investigation of Zno:Fe Doped System. 2012;:209-212.
https://hdl.handle.net/21.15107/rcub_vinar_6977 .

Novaković, Nikola, Radisavljević, Ivana, Paskaš Mamula, Bojana, Medić, Mirjana, Matović, Branko, Paunović, Novica M., Ivanović, Nenad, "Structural Investigation of Zno:Fe Doped System" (2012):209-212,
https://hdl.handle.net/21.15107/rcub_vinar_6977 .

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 . .

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 . .

TY  - JOUR
AU  - Novaković, Nikola
AU  - Grbović-Novaković, Jasmina
AU  - Matović, Ljiljana
AU  - Manasijević, Miodrag
AU  - Radisavljević, Ivana
AU  - Paskaš Mamula, Bojana
AU  - Ivanović, Nenad
PY  - 2010
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3911
AB  - The understanding of hydrogen bonding in magnesium and magnesium based alloys is an important step toward its prospective use. In the present study, a density functional theory (DFT) based, full-potential augmented plane waves method of calculation, extended with local orbitals (FP-APW+lo), was used to investigate the stability of MgH2 and MgH2:TM (TM = Ti and Co) 10 wt% alloys and the influence of this alloying on hydrogen storage properties of MgH2 compound. Effects of a possible spin polarisation induced in the system by transition metal (TM) ions were considered too. It has been found that TM-H bonding is stronger than the Mg-H bond, but at the same time it weakens other bonds in the second and third coordination around a TM atom, which leads to overall destabilization of the MgH2 compound. Due to a higher number of d-electrons, this effect is more pronounced for Co alloying, where in addition, the spin polarisation has a noticeable and stabilising influence on the compound structure. (C) 2009 Professor T. Nejat Veziroglu. Published by Elsevier Ltd. All rights reserved.
T2  - International Journal of Hydrogen Energy
T1  - Ab initio calculations of MgH2, MgH2:Ti and MgH2:Co compounds
VL  - 35
IS  - 2
SP  - 598
EP  - 608
DO  - 10.1016/j.ijhydene.2009.11.003
ER  - 

@article{
author = "Novaković, Nikola and Grbović-Novaković, Jasmina and Matović, Ljiljana and Manasijević, Miodrag and Radisavljević, Ivana and Paskaš Mamula, Bojana and Ivanović, Nenad",
year = "2010",
abstract = "The understanding of hydrogen bonding in magnesium and magnesium based alloys is an important step toward its prospective use. In the present study, a density functional theory (DFT) based, full-potential augmented plane waves method of calculation, extended with local orbitals (FP-APW+lo), was used to investigate the stability of MgH2 and MgH2:TM (TM = Ti and Co) 10 wt% alloys and the influence of this alloying on hydrogen storage properties of MgH2 compound. Effects of a possible spin polarisation induced in the system by transition metal (TM) ions were considered too. It has been found that TM-H bonding is stronger than the Mg-H bond, but at the same time it weakens other bonds in the second and third coordination around a TM atom, which leads to overall destabilization of the MgH2 compound. Due to a higher number of d-electrons, this effect is more pronounced for Co alloying, where in addition, the spin polarisation has a noticeable and stabilising influence on the compound structure. (C) 2009 Professor T. Nejat Veziroglu. Published by Elsevier Ltd. All rights reserved.",
journal = "International Journal of Hydrogen Energy",
title = "Ab initio calculations of MgH2, MgH2:Ti and MgH2:Co compounds",
volume = "35",
number = "2",
pages = "598-608",
doi = "10.1016/j.ijhydene.2009.11.003"
}

Novaković, N., Grbović-Novaković, J., Matović, L., Manasijević, M., Radisavljević, I., Paskaš Mamula, B.,& Ivanović, N.. (2010). Ab initio calculations of MgH2, MgH2:Ti and MgH2:Co compounds. in International Journal of Hydrogen Energy, 35(2), 598-608.
https://doi.org/10.1016/j.ijhydene.2009.11.003

Novaković N, Grbović-Novaković J, Matović L, Manasijević M, Radisavljević I, Paskaš Mamula B, Ivanović N. Ab initio calculations of MgH2, MgH2:Ti and MgH2:Co compounds. in International Journal of Hydrogen Energy. 2010;35(2):598-608.
doi:10.1016/j.ijhydene.2009.11.003 .

Novaković, Nikola, Grbović-Novaković, Jasmina, Matović, Ljiljana, Manasijević, Miodrag, Radisavljević, Ivana, Paskaš Mamula, Bojana, Ivanović, Nenad, "Ab initio calculations of MgH2, MgH2:Ti and MgH2:Co compounds" in International Journal of Hydrogen Energy, 35, no. 2 (2010):598-608,
https://doi.org/10.1016/j.ijhydene.2009.11.003 . .