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  - 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 . .