TY  - JOUR
AU  - Sünbül, S.E.
AU  - Akyol, S.
AU  - İçin, K.
AU  - Umićević, Ana
AU  - Ivanovski, Valentin
AU  - Batalović, Katarina
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12714
AB  - This study addresses the oxidation behavior of Fe38Co38Mo8B15Cu1 alloy. Amorphous, melt-spun ribbons were heat treated in an oxygen atmosphere for different times at 350 °C, 550 °C, and 800 °C. We focus on the change in structural, thermal, and magnetic properties induced by oxygen treatment. The low-temperature heat-treated samples displayed broad, continuous, and low-intensity X-ray diffraction peaks. While no structural change was observed in the heat treatments at 350 °C both 30 min and 480 min, a significant oxide formation was observed in the heat treatment at 800 °C for 480 min. DTA/TG analysis demonstrates the weight gains and oxide formation with the temperature and time of heat treatment increase. The weight gain occurs rapidly for the sample treated for 480 min at 800 °C. A remarkable change in magnetic properties was observed. Bulk oxidation is seen by Mössbauer analysis in the heat treatment of alloy in air at 800 °C. Besides hematite, a defective CoFe2O4 phase emerged after 30 min, while after 480 min this phase was well-crystallized CoFe2O4.
T2  - Journal of Non-Crystalline Solids
T1  - Investigating oxidation behavior of Fe38Co38Mo8B15Cu1 alloy ribbons – structural, magnetic and Mössbauer study
VL  - 627
SP  - 122836
DO  - 10.1016/j.jnoncrysol.2024.122836
ER  - 

@article{
author = "Sünbül, S.E. and Akyol, S. and İçin, K. and Umićević, Ana and Ivanovski, Valentin and Batalović, Katarina",
year = "2024",
abstract = "This study addresses the oxidation behavior of Fe38Co38Mo8B15Cu1 alloy. Amorphous, melt-spun ribbons were heat treated in an oxygen atmosphere for different times at 350 °C, 550 °C, and 800 °C. We focus on the change in structural, thermal, and magnetic properties induced by oxygen treatment. The low-temperature heat-treated samples displayed broad, continuous, and low-intensity X-ray diffraction peaks. While no structural change was observed in the heat treatments at 350 °C both 30 min and 480 min, a significant oxide formation was observed in the heat treatment at 800 °C for 480 min. DTA/TG analysis demonstrates the weight gains and oxide formation with the temperature and time of heat treatment increase. The weight gain occurs rapidly for the sample treated for 480 min at 800 °C. A remarkable change in magnetic properties was observed. Bulk oxidation is seen by Mössbauer analysis in the heat treatment of alloy in air at 800 °C. Besides hematite, a defective CoFe2O4 phase emerged after 30 min, while after 480 min this phase was well-crystallized CoFe2O4.",
journal = "Journal of Non-Crystalline Solids",
title = "Investigating oxidation behavior of Fe38Co38Mo8B15Cu1 alloy ribbons – structural, magnetic and Mössbauer study",
volume = "627",
pages = "122836",
doi = "10.1016/j.jnoncrysol.2024.122836"
}

Sünbül, S.E., Akyol, S., İçin, K., Umićević, A., Ivanovski, V.,& Batalović, K.. (2024). Investigating oxidation behavior of Fe38Co38Mo8B15Cu1 alloy ribbons – structural, magnetic and Mössbauer study. in Journal of Non-Crystalline Solids, 627, 122836.
https://doi.org/10.1016/j.jnoncrysol.2024.122836

Sünbül S, Akyol S, İçin K, Umićević A, Ivanovski V, Batalović K. Investigating oxidation behavior of Fe38Co38Mo8B15Cu1 alloy ribbons – structural, magnetic and Mössbauer study. in Journal of Non-Crystalline Solids. 2024;627:122836.
doi:10.1016/j.jnoncrysol.2024.122836 .

Sünbül, S.E., Akyol, S., İçin, K., Umićević, Ana, Ivanovski, Valentin, Batalović, Katarina, "Investigating oxidation behavior of Fe38Co38Mo8B15Cu1 alloy ribbons – structural, magnetic and Mössbauer study" in Journal of Non-Crystalline Solids, 627 (2024):122836,
https://doi.org/10.1016/j.jnoncrysol.2024.122836 . .

TY  - JOUR
AU  - Belošević-Čavor, Jelena
AU  - Koteski, Vasil
AU  - Ivanovski, Valentin N.
AU  - Toprek, Dragan
AU  - Umićević, Ana
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11641
AB  - In order to provide insight into the influence of co-doping with boron (B) and transition metals (TM = Pt, Ta, V) on the photoactivity of anatase TiO2 , the electronic, structural and optical characteristics of the mentioned co-doped systems were studied using density functional theory calculations and the modified Becke–Johnson exchange potential. For each transition metal two cases were considered, with B atom either replacing O atom (B-substitutional) or imbedding interstitially (B-interstitial) into TiO2 lattice. The calculations showed that the co-doping is more favorable for the B-interstitial systems than for the B-substitutional ones and under the O-rich conditions. For the B-substitutional cases a slight decrease of the band gap is observed. In contrast, the results obtained for the B-interstitial systems exhibited no band gap narrowing. However, in these systems, the occurrence of localized states within the band gap is noticed, which could improve visible light absorption through a two-step optical transition.
T2  - Physica B: Condensed Matter
T1  - Tailoring the photocatalytic properties of anatase TiO2 by B–TM (TM = Pt, Ta, V) co-doping
VL  - 670
SP  - 415358
DO  - 10.1016/j.physb.2023.415358
ER  - 

@article{
author = "Belošević-Čavor, Jelena and Koteski, Vasil and Ivanovski, Valentin N. and Toprek, Dragan and Umićević, Ana",
year = "2023",
abstract = "In order to provide insight into the influence of co-doping with boron (B) and transition metals (TM = Pt, Ta, V) on the photoactivity of anatase TiO2 , the electronic, structural and optical characteristics of the mentioned co-doped systems were studied using density functional theory calculations and the modified Becke–Johnson exchange potential. For each transition metal two cases were considered, with B atom either replacing O atom (B-substitutional) or imbedding interstitially (B-interstitial) into TiO2 lattice. The calculations showed that the co-doping is more favorable for the B-interstitial systems than for the B-substitutional ones and under the O-rich conditions. For the B-substitutional cases a slight decrease of the band gap is observed. In contrast, the results obtained for the B-interstitial systems exhibited no band gap narrowing. However, in these systems, the occurrence of localized states within the band gap is noticed, which could improve visible light absorption through a two-step optical transition.",
journal = "Physica B: Condensed Matter",
title = "Tailoring the photocatalytic properties of anatase TiO2 by B–TM (TM = Pt, Ta, V) co-doping",
volume = "670",
pages = "415358",
doi = "10.1016/j.physb.2023.415358"
}

Belošević-Čavor, J., Koteski, V., Ivanovski, V. N., Toprek, D.,& Umićević, A.. (2023). Tailoring the photocatalytic properties of anatase TiO2 by B–TM (TM = Pt, Ta, V) co-doping. in Physica B: Condensed Matter, 670, 415358.
https://doi.org/10.1016/j.physb.2023.415358

Belošević-Čavor J, Koteski V, Ivanovski VN, Toprek D, Umićević A. Tailoring the photocatalytic properties of anatase TiO2 by B–TM (TM = Pt, Ta, V) co-doping. in Physica B: Condensed Matter. 2023;670:415358.
doi:10.1016/j.physb.2023.415358 .

Belošević-Čavor, Jelena, Koteski, Vasil, Ivanovski, Valentin N., Toprek, Dragan, Umićević, Ana, "Tailoring the photocatalytic properties of anatase TiO2 by B–TM (TM = Pt, Ta, V) co-doping" in Physica B: Condensed Matter, 670 (2023):415358,
https://doi.org/10.1016/j.physb.2023.415358 . .

TY  - CONF
AU  - Umićević, Ana
AU  - Banerjee, D.
AU  - Dey, C. C.
AU  - Belošević-Čavor, Jelena
AU  - Koteski, Vasil
AU  - Ivanovski, Valentin
AU  - Toprek, Dragan
AU  - Kapidžić, Ana
AU  - Wasim Raja, Sk.
AU  - Dey Chaudhuri, S.
AU  - Blanuša, Jovan
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12110
AB  - Laves phases (AB2) are alloys whose metal hydrides have been proposed to improve the energy density of Ni-MH batteries. In case of ZrV2-based battery materials, various amounts of different modifiers, such as Ti and Ni are used to improve their performance. The influence of Ni modifier in ZrV2 C15 Laves phase was investigated at atomic level by the 181TaPerturbed Angular Correlation (PAC) measurements of Zr(V0.33Ni0.67)2, Zr(V0.33Ni0.67)2.4 and Zr27V18Ni55 compounds. The dominant C15-type crystallographic structures were found in all samples by the X-ray diffraction, with the minority presence of other phases, mostly various oxides. The 181Ta-PAC preliminary results showed four different electric quadrupole interactions which give similar values for electric field gradients and non-zero asymmetry parameters in all investigated compounds.
C3  - HYPERFINE2023 : International Conference on Hyperfine Interactions and their Applications : Program & Abstracts
T1  - Perturbed angular correlation study of zirconium based C15 laves phases
SP  - 72
EP  - 72
UR  - https://hdl.handle.net/21.15107/rcub_vinar_12110
ER  - 

@conference{
author = "Umićević, Ana and Banerjee, D. and Dey, C. C. and Belošević-Čavor, Jelena and Koteski, Vasil and Ivanovski, Valentin and Toprek, Dragan and Kapidžić, Ana and Wasim Raja, Sk. and Dey Chaudhuri, S. and Blanuša, Jovan",
year = "2023",
abstract = "Laves phases (AB2) are alloys whose metal hydrides have been proposed to improve the energy density of Ni-MH batteries. In case of ZrV2-based battery materials, various amounts of different modifiers, such as Ti and Ni are used to improve their performance. The influence of Ni modifier in ZrV2 C15 Laves phase was investigated at atomic level by the 181TaPerturbed Angular Correlation (PAC) measurements of Zr(V0.33Ni0.67)2, Zr(V0.33Ni0.67)2.4 and Zr27V18Ni55 compounds. The dominant C15-type crystallographic structures were found in all samples by the X-ray diffraction, with the minority presence of other phases, mostly various oxides. The 181Ta-PAC preliminary results showed four different electric quadrupole interactions which give similar values for electric field gradients and non-zero asymmetry parameters in all investigated compounds.",
journal = "HYPERFINE2023 : International Conference on Hyperfine Interactions and their Applications : Program & Abstracts",
title = "Perturbed angular correlation study of zirconium based C15 laves phases",
pages = "72-72",
url = "https://hdl.handle.net/21.15107/rcub_vinar_12110"
}

Umićević, A., Banerjee, D., Dey, C. C., Belošević-Čavor, J., Koteski, V., Ivanovski, V., Toprek, D., Kapidžić, A., Wasim Raja, Sk., Dey Chaudhuri, S.,& Blanuša, J.. (2023). Perturbed angular correlation study of zirconium based C15 laves phases. in HYPERFINE2023 : International Conference on Hyperfine Interactions and their Applications : Program & Abstracts, 72-72.
https://hdl.handle.net/21.15107/rcub_vinar_12110

Umićević A, Banerjee D, Dey CC, Belošević-Čavor J, Koteski V, Ivanovski V, Toprek D, Kapidžić A, Wasim Raja S, Dey Chaudhuri S, Blanuša J. Perturbed angular correlation study of zirconium based C15 laves phases. in HYPERFINE2023 : International Conference on Hyperfine Interactions and their Applications : Program & Abstracts. 2023;:72-72.
https://hdl.handle.net/21.15107/rcub_vinar_12110 .

Umićević, Ana, Banerjee, D., Dey, C. C., Belošević-Čavor, Jelena, Koteski, Vasil, Ivanovski, Valentin, Toprek, Dragan, Kapidžić, Ana, Wasim Raja, Sk., Dey Chaudhuri, S., Blanuša, Jovan, "Perturbed angular correlation study of zirconium based C15 laves phases" in HYPERFINE2023 : International Conference on Hyperfine Interactions and their Applications : Program & Abstracts (2023):72-72,
https://hdl.handle.net/21.15107/rcub_vinar_12110 .

TY  - CONF
AU  - Ivanovski, Valentin
AU  - Belošević-Čavor, Jelena
AU  - Koteski, Vasil
AU  - Umićević, Ana
PY  - 2022
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12796
AB  - In the present work, the electronic and optical properties of (B, TM) co-doped (
TM = Pt, Ta, V) anatase TiO 2 were investigated using modified density functional
theory (DFT) calculations, in order to provide insight into the synergistic effect of
co-doping with various elements on the photoactivity of TiO 2. We considered two
combinations for each co-doped sample, with TM atom replacing Ti atom and B
atom either replacing O atom or embedding interstitially into TiO 2 lattice. The
calculations showed that for all studied transition metals, the co-doping is more
favorable in the case of interstitially doped boron than for the substitutional one
and under the O-rich conditions. For the co-doped systems with B atom substitutionally replacing O atom, a small reduction of the band gap is observed in all the
investigated cases. In contrast, the results obtained for the co-doped systems with
boron embedded interstitially into TiO 2 lattice, exhibited no band gap narrowing.
However, in these systems, the doping induced localized states within the band gap,
which could enhance visible light absorption through a two step optical transition
from the valence to conduction band
C3  - BPU11 : 11th International Conference of the Balkan Physical Union : Book of abstracts
T1  - Tailoring the photocatalytic properties of anatase TiO2 by B–TM (TM = Pt, Ta, V) co-doping
SP  - 199
EP  - 199
UR  - https://hdl.handle.net/21.15107/rcub_vinar_12796
ER  - 

@conference{
author = "Ivanovski, Valentin and Belošević-Čavor, Jelena and Koteski, Vasil and Umićević, Ana",
year = "2022",
abstract = "In the present work, the electronic and optical properties of (B, TM) co-doped (
TM = Pt, Ta, V) anatase TiO 2 were investigated using modified density functional
theory (DFT) calculations, in order to provide insight into the synergistic effect of
co-doping with various elements on the photoactivity of TiO 2. We considered two
combinations for each co-doped sample, with TM atom replacing Ti atom and B
atom either replacing O atom or embedding interstitially into TiO 2 lattice. The
calculations showed that for all studied transition metals, the co-doping is more
favorable in the case of interstitially doped boron than for the substitutional one
and under the O-rich conditions. For the co-doped systems with B atom substitutionally replacing O atom, a small reduction of the band gap is observed in all the
investigated cases. In contrast, the results obtained for the co-doped systems with
boron embedded interstitially into TiO 2 lattice, exhibited no band gap narrowing.
However, in these systems, the doping induced localized states within the band gap,
which could enhance visible light absorption through a two step optical transition
from the valence to conduction band",
journal = "BPU11 : 11th International Conference of the Balkan Physical Union : Book of abstracts",
title = "Tailoring the photocatalytic properties of anatase TiO2 by B–TM (TM = Pt, Ta, V) co-doping",
pages = "199-199",
url = "https://hdl.handle.net/21.15107/rcub_vinar_12796"
}

Ivanovski, V., Belošević-Čavor, J., Koteski, V.,& Umićević, A.. (2022). Tailoring the photocatalytic properties of anatase TiO2 by B–TM (TM = Pt, Ta, V) co-doping. in BPU11 : 11th International Conference of the Balkan Physical Union : Book of abstracts, 199-199.
https://hdl.handle.net/21.15107/rcub_vinar_12796

Ivanovski V, Belošević-Čavor J, Koteski V, Umićević A. Tailoring the photocatalytic properties of anatase TiO2 by B–TM (TM = Pt, Ta, V) co-doping. in BPU11 : 11th International Conference of the Balkan Physical Union : Book of abstracts. 2022;:199-199.
https://hdl.handle.net/21.15107/rcub_vinar_12796 .

Ivanovski, Valentin, Belošević-Čavor, Jelena, Koteski, Vasil, Umićević, Ana, "Tailoring the photocatalytic properties of anatase TiO2 by B–TM (TM = Pt, Ta, V) co-doping" in BPU11 : 11th International Conference of the Balkan Physical Union : Book of abstracts (2022):199-199,
https://hdl.handle.net/21.15107/rcub_vinar_12796 .

TY  - JOUR
AU  - Liu, Yu
AU  - Wang, Aifeng
AU  - Ivanovski, Valentin N.
AU  - Du, Qianheng
AU  - Koteski, Vasil J.
AU  - Petrović, Čedomir
PY  - 2022
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10174
AB  - We report thermoelectric studies of FeS1-xSex (x=0,0.06) superconducting single crystals that feature high irreversibility fields and critical current density Jc comparable to materials with much higher superconducting critical temperatures (Tc's). The ratio of Tc to the Fermi temperature TF is very small, indicating weak electronic correlations. With a slight selenium substitution on sulfur site in FeS both Tc/TF and the effective mass m∗ rise considerably, implying increase in electronic correlation of the bulk conducting states. The first-principle calculations show rise of the density of states at the Fermi level in FeS0.94Se0.06 when compared to FeS, which is related not only to Fe but also to chalcogen-derived electronic states.
T2  - Physical Review B
T1  - Thermoelectricity and electronic correlation enhancement in FeS by light Se doping
VL  - 105
IS  - 4
SP  - 045133
DO  - 10.1103/PhysRevB.105.045133
ER  - 

@article{
author = "Liu, Yu and Wang, Aifeng and Ivanovski, Valentin N. and Du, Qianheng and Koteski, Vasil J. and Petrović, Čedomir",
year = "2022",
abstract = "We report thermoelectric studies of FeS1-xSex (x=0,0.06) superconducting single crystals that feature high irreversibility fields and critical current density Jc comparable to materials with much higher superconducting critical temperatures (Tc's). The ratio of Tc to the Fermi temperature TF is very small, indicating weak electronic correlations. With a slight selenium substitution on sulfur site in FeS both Tc/TF and the effective mass m∗ rise considerably, implying increase in electronic correlation of the bulk conducting states. The first-principle calculations show rise of the density of states at the Fermi level in FeS0.94Se0.06 when compared to FeS, which is related not only to Fe but also to chalcogen-derived electronic states.",
journal = "Physical Review B",
title = "Thermoelectricity and electronic correlation enhancement in FeS by light Se doping",
volume = "105",
number = "4",
pages = "045133",
doi = "10.1103/PhysRevB.105.045133"
}

Liu, Y., Wang, A., Ivanovski, V. N., Du, Q., Koteski, V. J.,& Petrović, Č.. (2022). Thermoelectricity and electronic correlation enhancement in FeS by light Se doping. in Physical Review B, 105(4), 045133.
https://doi.org/10.1103/PhysRevB.105.045133

Liu Y, Wang A, Ivanovski VN, Du Q, Koteski VJ, Petrović Č. Thermoelectricity and electronic correlation enhancement in FeS by light Se doping. in Physical Review B. 2022;105(4):045133.
doi:10.1103/PhysRevB.105.045133 .

Liu, Yu, Wang, Aifeng, Ivanovski, Valentin N., Du, Qianheng, Koteski, Vasil J., Petrović, Čedomir, "Thermoelectricity and electronic correlation enhancement in FeS by light Se doping" in Physical Review B, 105, no. 4 (2022):045133,
https://doi.org/10.1103/PhysRevB.105.045133 . .

TY  - JOUR
AU  - Liu, Yu
AU  - Tong, Xiao
AU  - Ivanovski, Valentin N.
AU  - Hu, Zhixiang
AU  - Leshchev, Denis
AU  - Zhu, Xiangde
AU  - Lei, Hechang
AU  - Stavitski, Eli
AU  - Attenkofer, Klaus
AU  - Koteski, Vasil J.
AU  - Petrović, Čedomir
PY  - 2022
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10479
AB  - Charge density waves (CDWs) with superconductivity, competing Fermi surface instabilities, and collective orders have captured much interest in two-dimensional van der Waals (vdW) materials. Understanding the CDW suppression mechanism, its connection to the emerging superconducting state, and electronic correlations provides opportunities for engineering the electronic properties of vdW heterostructures and thin-film devices. Using a combination of the thermal transport, x-ray photoemission spectroscopy, Raman measurements, and first-principles calculations, we observe an increase in electronic correlations of the conducting states as the CDW is suppressed in ZrTe3 with 5% Cu and Ni intercalation in the vdW gap. As superconductivity emerges, intercalation brings not only decoupling of quasi-one-dimensional conduction electrons with phonons as a consequence of intercalation-induced lattice expansion but also a drastic increase in Zr2+ at the expense of Zr4+ metal atoms. These observations not only demonstrate the potential of atomic intercalates in the vdW gap for ground-state tuning but also illustrate the crucial role of the Zr metal valence in the formation of collective electronic orders.
T2  - Physical Review B
T1  - Enhanced superconductivity and electron correlations in intercalated ZrTe3
VL  - 106
IS  - 16
SP  - 165113
DO  - 10.1103/PhysRevB.106.165113
ER  - 

@article{
author = "Liu, Yu and Tong, Xiao and Ivanovski, Valentin N. and Hu, Zhixiang and Leshchev, Denis and Zhu, Xiangde and Lei, Hechang and Stavitski, Eli and Attenkofer, Klaus and Koteski, Vasil J. and Petrović, Čedomir",
year = "2022",
abstract = "Charge density waves (CDWs) with superconductivity, competing Fermi surface instabilities, and collective orders have captured much interest in two-dimensional van der Waals (vdW) materials. Understanding the CDW suppression mechanism, its connection to the emerging superconducting state, and electronic correlations provides opportunities for engineering the electronic properties of vdW heterostructures and thin-film devices. Using a combination of the thermal transport, x-ray photoemission spectroscopy, Raman measurements, and first-principles calculations, we observe an increase in electronic correlations of the conducting states as the CDW is suppressed in ZrTe3 with 5% Cu and Ni intercalation in the vdW gap. As superconductivity emerges, intercalation brings not only decoupling of quasi-one-dimensional conduction electrons with phonons as a consequence of intercalation-induced lattice expansion but also a drastic increase in Zr2+ at the expense of Zr4+ metal atoms. These observations not only demonstrate the potential of atomic intercalates in the vdW gap for ground-state tuning but also illustrate the crucial role of the Zr metal valence in the formation of collective electronic orders.",
journal = "Physical Review B",
title = "Enhanced superconductivity and electron correlations in intercalated ZrTe3",
volume = "106",
number = "16",
pages = "165113",
doi = "10.1103/PhysRevB.106.165113"
}

Liu, Y., Tong, X., Ivanovski, V. N., Hu, Z., Leshchev, D., Zhu, X., Lei, H., Stavitski, E., Attenkofer, K., Koteski, V. J.,& Petrović, Č.. (2022). Enhanced superconductivity and electron correlations in intercalated ZrTe3. in Physical Review B, 106(16), 165113.
https://doi.org/10.1103/PhysRevB.106.165113

Liu Y, Tong X, Ivanovski VN, Hu Z, Leshchev D, Zhu X, Lei H, Stavitski E, Attenkofer K, Koteski VJ, Petrović Č. Enhanced superconductivity and electron correlations in intercalated ZrTe3. in Physical Review B. 2022;106(16):165113.
doi:10.1103/PhysRevB.106.165113 .

Liu, Yu, Tong, Xiao, Ivanovski, Valentin N., Hu, Zhixiang, Leshchev, Denis, Zhu, Xiangde, Lei, Hechang, Stavitski, Eli, Attenkofer, Klaus, Koteski, Vasil J., Petrović, Čedomir, "Enhanced superconductivity and electron correlations in intercalated ZrTe3" in Physical Review B, 106, no. 16 (2022):165113,
https://doi.org/10.1103/PhysRevB.106.165113 . .

TY  - JOUR
AU  - Wang, Aifeng
AU  - Milosavljević, Ana
AU  - Abeykoon, A. M. Milinda
AU  - Ivanovski, Valentin N.
AU  - Du, Qianheng
AU  - Baum, Andreas
AU  - Stavitski, Eli
AU  - Liu, Yu
AU  - Lazarević, Nenad
AU  - Attenkofer, Klaus
AU  - Hackl, Rudi
AU  - Popović, Zoran
AU  - Petrović, Čedomir
PY  - 2022
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10380
AB  - Connections between crystal chemistry and critical temperature Tc have been in the focus of superconductivity, one of the most widely studied phenomena in physics, chemistry, and materials science alike. In most Fe-based superconductors, materials chemistry and physics conspire so that Tc correlates with the average anion height above the Fe plane, i.e., with the geometry of the FeAs4 or FeCh4 (Ch = Te, Se, or S) tetrahedron. By synthesizing Fe1–ySe1–xSx (0 ≤ x ≤ 1; y ≤ 0.1), we find that in alloyed crystals Tc is not correlated with the anion height like it is for most other Fe superconductors. Instead, changes in Tc(x) and tetragonal-to-orthorhombic (nematic) transition Ts(x) upon cooling are correlated with disorder in Fe vibrations in the direction orthogonal to Fe planes, along the crystallographic c-axis. The disorder stems from the random nature of S substitution, causing deformed Fe(Se,S)4 tetrahedra with different Fe–Se and Fe–S bond distances. Our results provide evidence of Tc and Ts suppression by disorder in anion height. The connection to local crystal chemistry may be exploited in computational prediction of new superconducting materials with FeSe/S building blocks.
T2  - Inorganic Chemistry
T1  - Suppression of Superconductivity and Nematic Order in Fe1–ySe1–xSx (0 ≤ x ≤ 1; y ≤ 0.1) Crystals by Anion Height Disorder
VL  - 61
IS  - 29
SP  - 11036
EP  - 11045
DO  - 10.1021/acs.inorgchem.2c00568
ER  - 

@article{
author = "Wang, Aifeng and Milosavljević, Ana and Abeykoon, A. M. Milinda and Ivanovski, Valentin N. and Du, Qianheng and Baum, Andreas and Stavitski, Eli and Liu, Yu and Lazarević, Nenad and Attenkofer, Klaus and Hackl, Rudi and Popović, Zoran and Petrović, Čedomir",
year = "2022",
abstract = "Connections between crystal chemistry and critical temperature Tc have been in the focus of superconductivity, one of the most widely studied phenomena in physics, chemistry, and materials science alike. In most Fe-based superconductors, materials chemistry and physics conspire so that Tc correlates with the average anion height above the Fe plane, i.e., with the geometry of the FeAs4 or FeCh4 (Ch = Te, Se, or S) tetrahedron. By synthesizing Fe1–ySe1–xSx (0 ≤ x ≤ 1; y ≤ 0.1), we find that in alloyed crystals Tc is not correlated with the anion height like it is for most other Fe superconductors. Instead, changes in Tc(x) and tetragonal-to-orthorhombic (nematic) transition Ts(x) upon cooling are correlated with disorder in Fe vibrations in the direction orthogonal to Fe planes, along the crystallographic c-axis. The disorder stems from the random nature of S substitution, causing deformed Fe(Se,S)4 tetrahedra with different Fe–Se and Fe–S bond distances. Our results provide evidence of Tc and Ts suppression by disorder in anion height. The connection to local crystal chemistry may be exploited in computational prediction of new superconducting materials with FeSe/S building blocks.",
journal = "Inorganic Chemistry",
title = "Suppression of Superconductivity and Nematic Order in Fe1–ySe1–xSx (0 ≤ x ≤ 1; y ≤ 0.1) Crystals by Anion Height Disorder",
volume = "61",
number = "29",
pages = "11036-11045",
doi = "10.1021/acs.inorgchem.2c00568"
}

Wang, A., Milosavljević, A., Abeykoon, A. M. M., Ivanovski, V. N., Du, Q., Baum, A., Stavitski, E., Liu, Y., Lazarević, N., Attenkofer, K., Hackl, R., Popović, Z.,& Petrović, Č.. (2022). Suppression of Superconductivity and Nematic Order in Fe1–ySe1–xSx (0 ≤ x ≤ 1; y ≤ 0.1) Crystals by Anion Height Disorder. in Inorganic Chemistry, 61(29), 11036-11045.
https://doi.org/10.1021/acs.inorgchem.2c00568

Wang A, Milosavljević A, Abeykoon AMM, Ivanovski VN, Du Q, Baum A, Stavitski E, Liu Y, Lazarević N, Attenkofer K, Hackl R, Popović Z, Petrović Č. Suppression of Superconductivity and Nematic Order in Fe1–ySe1–xSx (0 ≤ x ≤ 1; y ≤ 0.1) Crystals by Anion Height Disorder. in Inorganic Chemistry. 2022;61(29):11036-11045.
doi:10.1021/acs.inorgchem.2c00568 .

Wang, Aifeng, Milosavljević, Ana, Abeykoon, A. M. Milinda, Ivanovski, Valentin N., Du, Qianheng, Baum, Andreas, Stavitski, Eli, Liu, Yu, Lazarević, Nenad, Attenkofer, Klaus, Hackl, Rudi, Popović, Zoran, Petrović, Čedomir, "Suppression of Superconductivity and Nematic Order in Fe1–ySe1–xSx (0 ≤ x ≤ 1; y ≤ 0.1) Crystals by Anion Height Disorder" in Inorganic Chemistry, 61, no. 29 (2022):11036-11045,
https://doi.org/10.1021/acs.inorgchem.2c00568 . .

TY  - JOUR
AU  - Jugović, Dragana
AU  - Milović, Miloš
AU  - Ivanovski, Valentin N.
AU  - Škapin, Srečo Davor
AU  - Barudžija, Tanja
AU  - Mitrić, Miodrag
PY  - 2021
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9921
AB  - Fayalite Fe2SiO4 is synthesized by the solid-state reaction without ball milling. The obtained powder is further structurally and electrochemically examined. Field emission scanning electron microscopy (FESEM) showed that microsized powder is obtained. X-ray powder diffraction (XRD) pattern is used for both phase identification and crystal structure Rietveld refinement. The structure is refined in the orthorhombic Pbnm space group. Mössbauer spectroscopy revealed traces of Fe3+ impurity. The bond valence mapping method is applied for the first time on Fe2SiO4 framework. It shows isolated, non-connected isosurfaces of constant E(Li), which further supports the assumptions of the conversion reactions. Electrochemical performances are investigated through galvanostatic cycling, cyclic voltammetry, and electrochemical impedance spectroscopy (EIS). Ex-situ XRD and Fourier transform infrared spectroscopy (FTIR) analyses are combined to monitor phase change after galvanostatic cycling and to reveal the working mechanism during electrochemical lithiation.
T2  - Journal of Electroceramics
T1  - Microsized fayalite Fe2SiO4 as anode material: the structure, electrochemical properties and working mechanism
DO  - 10.1007/s10832-021-00260-9
ER  - 

@article{
author = "Jugović, Dragana and Milović, Miloš and Ivanovski, Valentin N. and Škapin, Srečo Davor and Barudžija, Tanja and Mitrić, Miodrag",
year = "2021",
abstract = "Fayalite Fe2SiO4 is synthesized by the solid-state reaction without ball milling. The obtained powder is further structurally and electrochemically examined. Field emission scanning electron microscopy (FESEM) showed that microsized powder is obtained. X-ray powder diffraction (XRD) pattern is used for both phase identification and crystal structure Rietveld refinement. The structure is refined in the orthorhombic Pbnm space group. Mössbauer spectroscopy revealed traces of Fe3+ impurity. The bond valence mapping method is applied for the first time on Fe2SiO4 framework. It shows isolated, non-connected isosurfaces of constant E(Li), which further supports the assumptions of the conversion reactions. Electrochemical performances are investigated through galvanostatic cycling, cyclic voltammetry, and electrochemical impedance spectroscopy (EIS). Ex-situ XRD and Fourier transform infrared spectroscopy (FTIR) analyses are combined to monitor phase change after galvanostatic cycling and to reveal the working mechanism during electrochemical lithiation.",
journal = "Journal of Electroceramics",
title = "Microsized fayalite Fe2SiO4 as anode material: the structure, electrochemical properties and working mechanism",
doi = "10.1007/s10832-021-00260-9"
}

Jugović, D., Milović, M., Ivanovski, V. N., Škapin, S. D., Barudžija, T.,& Mitrić, M.. (2021). Microsized fayalite Fe2SiO4 as anode material: the structure, electrochemical properties and working mechanism. in Journal of Electroceramics.
https://doi.org/10.1007/s10832-021-00260-9

Jugović D, Milović M, Ivanovski VN, Škapin SD, Barudžija T, Mitrić M. Microsized fayalite Fe2SiO4 as anode material: the structure, electrochemical properties and working mechanism. in Journal of Electroceramics. 2021;.
doi:10.1007/s10832-021-00260-9 .

Jugović, Dragana, Milović, Miloš, Ivanovski, Valentin N., Škapin, Srečo Davor, Barudžija, Tanja, Mitrić, Miodrag, "Microsized fayalite Fe2SiO4 as anode material: the structure, electrochemical properties and working mechanism" in Journal of Electroceramics (2021),
https://doi.org/10.1007/s10832-021-00260-9 . .

TY  - CONF
AU  - Ivanovski, Valentin
PY  - 2021
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12732
AB  - Soon after the discovery of superconductivity in LaFeAsO with TC = 26 K in 2008, many other iron-based superconductors were synthetized. They are all based on the layers which contain iron and a pnictogen (As, P) or a chalcogen (S, Se, Te) element. Due to the connection between superconductivity and magnetism these novel unconventional high-TC superconductors have attracted tremendous interest in the scientific community. A particularly well studied is tetragonal FeSe in the PbO type structure (11 family). The improvement of TC was achieved by the intercalation of an additional layer such as perovskite-like blocks or alkaline metals into the Fe-based chalcogenide layered systems. This led to creation of new superconducting compounds, AyFe2 – xSe2 (A is an alkaline element) named 122 family whose physical and structural properties are found to be very sensitive on details of the chemical composition. Unlike layered cuprate superconductors, a cationic disorder arisen from a substitution in an Fe-layer improves TC. The highest TC in the Fe-based chalcogenide superconductors is accomplished by suppression of both long range crystallographic and magnetic order. Mössbauer spectroscopy is a very useful tool for studies of structural phase transitions, structure defects, and chemical and structural inhomogeneities. This lecture is devoted to the local structure studies of FeSexS1 – x, K0.7Na0.1Fe2Se2, KFe1 - xCoxSe2, and similar Fe-based chalcogenide compounds using the Mössbauer spectroscopy.
PB  - Belgrade : ETRAN Society : Academic Mind
C3  - 8th International Conference on Electrical, Electronic and Computing Engineering IcETRAN 2021 and 65th National Conference on Electrоnics, Telecommunication, Computing, Automatic Control and Nuclear Engineering ETRAN 2021 : Proceedings
T1  - Mössbauer Spectroscopy of Iron-based Chalcogenides
SP  - 398
EP  - 398
UR  - https://hdl.handle.net/21.15107/rcub_vinar_12732
ER  - 

@conference{
author = "Ivanovski, Valentin",
year = "2021",
abstract = "Soon after the discovery of superconductivity in LaFeAsO with TC = 26 K in 2008, many other iron-based superconductors were synthetized. They are all based on the layers which contain iron and a pnictogen (As, P) or a chalcogen (S, Se, Te) element. Due to the connection between superconductivity and magnetism these novel unconventional high-TC superconductors have attracted tremendous interest in the scientific community. A particularly well studied is tetragonal FeSe in the PbO type structure (11 family). The improvement of TC was achieved by the intercalation of an additional layer such as perovskite-like blocks or alkaline metals into the Fe-based chalcogenide layered systems. This led to creation of new superconducting compounds, AyFe2 – xSe2 (A is an alkaline element) named 122 family whose physical and structural properties are found to be very sensitive on details of the chemical composition. Unlike layered cuprate superconductors, a cationic disorder arisen from a substitution in an Fe-layer improves TC. The highest TC in the Fe-based chalcogenide superconductors is accomplished by suppression of both long range crystallographic and magnetic order. Mössbauer spectroscopy is a very useful tool for studies of structural phase transitions, structure defects, and chemical and structural inhomogeneities. This lecture is devoted to the local structure studies of FeSexS1 – x, K0.7Na0.1Fe2Se2, KFe1 - xCoxSe2, and similar Fe-based chalcogenide compounds using the Mössbauer spectroscopy.",
publisher = "Belgrade : ETRAN Society : Academic Mind",
journal = "8th International Conference on Electrical, Electronic and Computing Engineering IcETRAN 2021 and 65th National Conference on Electrоnics, Telecommunication, Computing, Automatic Control and Nuclear Engineering ETRAN 2021 : Proceedings",
title = "Mössbauer Spectroscopy of Iron-based Chalcogenides",
pages = "398-398",
url = "https://hdl.handle.net/21.15107/rcub_vinar_12732"
}

Ivanovski, V.. (2021). Mössbauer Spectroscopy of Iron-based Chalcogenides. in 8th International Conference on Electrical, Electronic and Computing Engineering IcETRAN 2021 and 65th National Conference on Electrоnics, Telecommunication, Computing, Automatic Control and Nuclear Engineering ETRAN 2021 : Proceedings
Belgrade : ETRAN Society : Academic Mind., 398-398.
https://hdl.handle.net/21.15107/rcub_vinar_12732

Ivanovski V. Mössbauer Spectroscopy of Iron-based Chalcogenides. in 8th International Conference on Electrical, Electronic and Computing Engineering IcETRAN 2021 and 65th National Conference on Electrоnics, Telecommunication, Computing, Automatic Control and Nuclear Engineering ETRAN 2021 : Proceedings. 2021;:398-398.
https://hdl.handle.net/21.15107/rcub_vinar_12732 .

Ivanovski, Valentin, "Mössbauer Spectroscopy of Iron-based Chalcogenides" in 8th International Conference on Electrical, Electronic and Computing Engineering IcETRAN 2021 and 65th National Conference on Electrоnics, Telecommunication, Computing, Automatic Control and Nuclear Engineering ETRAN 2021 : Proceedings (2021):398-398,
https://hdl.handle.net/21.15107/rcub_vinar_12732 .

TY  - JOUR
AU  - Tian, Jianjun
AU  - Ivanovski, Valentin N.
AU  - Abeykoon, Milinda
AU  - Martin, Rodica M.
AU  - Baranets, Sviatoslav
AU  - Martin, Catalin
AU  - Liu, Yu
AU  - Du, Qianheng
AU  - Wang, Aifeng
AU  - Chen, Shuzhang
AU  - Tong, Xiao
AU  - Zhang, Weifeng
AU  - Bobev, Svilen
AU  - Koteski, Vasil J.
AU  - Petrović, Čedomir
PY  - 2021
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10108
AB  - Transition metal dichalcogenides attract considerable attention due to a variety of interesting properties, including long-range magnetism in nanocrystals. Here we investigate the magnetic, thermal, and electrical properties of an FeTe2 single crystal with iron vacancy defects. Magnetic measurements show a paramagnetic state and the absence of magnetic order with low anisotropy in the magnetic susceptibility. Fe 3d orbitals are well hybridized, contributing to the bad metal electrical resistivity. Observed thermal conductivity values below room temperature are rather low and comparable to those of high-performance thermoelectric materials. Our results indicate that FeTe2 can form in a highly defective marcasite crystal structure which can be exploited in future materials design.
T2  - Physical Review B
T1  - Absence of long-range magnetic order in Fe1−δ Te2  (δ ≈ 0.1) crystals
VL  - 104
IS  - 22
SP  - 224109
DO  - 10.1103/PhysRevB.104.224109
ER  - 

@article{
author = "Tian, Jianjun and Ivanovski, Valentin N. and Abeykoon, Milinda and Martin, Rodica M. and Baranets, Sviatoslav and Martin, Catalin and Liu, Yu and Du, Qianheng and Wang, Aifeng and Chen, Shuzhang and Tong, Xiao and Zhang, Weifeng and Bobev, Svilen and Koteski, Vasil J. and Petrović, Čedomir",
year = "2021",
abstract = "Transition metal dichalcogenides attract considerable attention due to a variety of interesting properties, including long-range magnetism in nanocrystals. Here we investigate the magnetic, thermal, and electrical properties of an FeTe2 single crystal with iron vacancy defects. Magnetic measurements show a paramagnetic state and the absence of magnetic order with low anisotropy in the magnetic susceptibility. Fe 3d orbitals are well hybridized, contributing to the bad metal electrical resistivity. Observed thermal conductivity values below room temperature are rather low and comparable to those of high-performance thermoelectric materials. Our results indicate that FeTe2 can form in a highly defective marcasite crystal structure which can be exploited in future materials design.",
journal = "Physical Review B",
title = "Absence of long-range magnetic order in Fe1−δ Te2  (δ ≈ 0.1) crystals",
volume = "104",
number = "22",
pages = "224109",
doi = "10.1103/PhysRevB.104.224109"
}

Tian, J., Ivanovski, V. N., Abeykoon, M., Martin, R. M., Baranets, S., Martin, C., Liu, Y., Du, Q., Wang, A., Chen, S., Tong, X., Zhang, W., Bobev, S., Koteski, V. J.,& Petrović, Č.. (2021). Absence of long-range magnetic order in Fe1−δ Te2  (δ ≈ 0.1) crystals. in Physical Review B, 104(22), 224109.
https://doi.org/10.1103/PhysRevB.104.224109

Tian J, Ivanovski VN, Abeykoon M, Martin RM, Baranets S, Martin C, Liu Y, Du Q, Wang A, Chen S, Tong X, Zhang W, Bobev S, Koteski VJ, Petrović Č. Absence of long-range magnetic order in Fe1−δ Te2  (δ ≈ 0.1) crystals. in Physical Review B. 2021;104(22):224109.
doi:10.1103/PhysRevB.104.224109 .

Tian, Jianjun, Ivanovski, Valentin N., Abeykoon, Milinda, Martin, Rodica M., Baranets, Sviatoslav, Martin, Catalin, Liu, Yu, Du, Qianheng, Wang, Aifeng, Chen, Shuzhang, Tong, Xiao, Zhang, Weifeng, Bobev, Svilen, Koteski, Vasil J., Petrović, Čedomir, "Absence of long-range magnetic order in Fe1−δ Te2  (δ ≈ 0.1) crystals" in Physical Review B, 104, no. 22 (2021):224109,
https://doi.org/10.1103/PhysRevB.104.224109 . .

TY  - JOUR
AU  - Koteski, Vasil J.
AU  - Belošević-Čavor, Jelena
AU  - Ivanovski, Valentin N.
AU  - Umićević, Ana
AU  - Toprek, Dragan
PY  - 2020
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8889
AB  - Substitutionally doped Bi2W1-xMxO6 (M = Mo, Cr, Fe, Zn; x = 0.125, 0,25, 0.5) is investigated using the density functional theory (DFT). For all the investigated transition metal dopants, the optical properties in the visible light range are improved over the undoped Bi2WO6. Irrespective of concentration, the lattice relaxation around the dopants is constrained to the first coordination shell. Mo, Fe, and Cr introduce localized defect states in the band gap, contributing to band gap narrowing. The localized states are hybridized between the impurity d–bands and host W 5d–and O 2p–states. Zn facilitates the reduction of the band gap by inducing a shift of the states near the top of the valence band toward higher energies. Our results suggest that Zn doping on the W lattice site may improve the photocatalytic properties of Bi2WO6 more than the other dopants.
T2  - Applied Surface Science
T1  - Ab initio calculations of the optical and electronic properties of Bi2WO6 doped with Mo, Cr, Fe, and Zn on the W–lattice site
VL  - 515
SP  - 146036
DO  - 10.1016/j.apsusc.2020.146036
ER  - 

@article{
author = "Koteski, Vasil J. and Belošević-Čavor, Jelena and Ivanovski, Valentin N. and Umićević, Ana and Toprek, Dragan",
year = "2020",
abstract = "Substitutionally doped Bi2W1-xMxO6 (M = Mo, Cr, Fe, Zn; x = 0.125, 0,25, 0.5) is investigated using the density functional theory (DFT). For all the investigated transition metal dopants, the optical properties in the visible light range are improved over the undoped Bi2WO6. Irrespective of concentration, the lattice relaxation around the dopants is constrained to the first coordination shell. Mo, Fe, and Cr introduce localized defect states in the band gap, contributing to band gap narrowing. The localized states are hybridized between the impurity d–bands and host W 5d–and O 2p–states. Zn facilitates the reduction of the band gap by inducing a shift of the states near the top of the valence band toward higher energies. Our results suggest that Zn doping on the W lattice site may improve the photocatalytic properties of Bi2WO6 more than the other dopants.",
journal = "Applied Surface Science",
title = "Ab initio calculations of the optical and electronic properties of Bi2WO6 doped with Mo, Cr, Fe, and Zn on the W–lattice site",
volume = "515",
pages = "146036",
doi = "10.1016/j.apsusc.2020.146036"
}

Koteski, V. J., Belošević-Čavor, J., Ivanovski, V. N., Umićević, A.,& Toprek, D.. (2020). Ab initio calculations of the optical and electronic properties of Bi2WO6 doped with Mo, Cr, Fe, and Zn on the W–lattice site. in Applied Surface Science, 515, 146036.
https://doi.org/10.1016/j.apsusc.2020.146036

Koteski VJ, Belošević-Čavor J, Ivanovski VN, Umićević A, Toprek D. Ab initio calculations of the optical and electronic properties of Bi2WO6 doped with Mo, Cr, Fe, and Zn on the W–lattice site. in Applied Surface Science. 2020;515:146036.
doi:10.1016/j.apsusc.2020.146036 .

Koteski, Vasil J., Belošević-Čavor, Jelena, Ivanovski, Valentin N., Umićević, Ana, Toprek, Dragan, "Ab initio calculations of the optical and electronic properties of Bi2WO6 doped with Mo, Cr, Fe, and Zn on the W–lattice site" in Applied Surface Science, 515 (2020):146036,
https://doi.org/10.1016/j.apsusc.2020.146036 . .

TY  - JOUR
AU  - Ilić, Svetlana M.
AU  - Ivanovski, Valentin N.
AU  - Radovanović, Željko
AU  - Egelja, Adela
AU  - Kokunešoski, Maja
AU  - Šaponjić, Aleksandra
AU  - Matović, Branko
PY  - 2020
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8942
AB  - The study of an effect of iron doping on the structural, microstructural and mechanical properties of sintered iron-doped mullite is presented. The results of phase composition, performed in detail by Mössbauer spectroscopy and XRD analysis, revealed that all added iron was inside the mullite lattice forming the single phase up to 12% by weight of Fe2O3 and 1300 °C. Samples, which were processed at 1550 °C, contained secondary phases, hematite or magnetite, regardless of the amount of added iron. Furthermore, the addition of iron decreases the values of relative linear shrinkage comparing to the values of undoped one (~18%) while the densities of the sintered samples rise as well as their values of microhardness. Even though the density values were not too high (90 TD%), the obtained values of microhardness were excellent, 1634 HV0.1 for maximum iron content due to the characteristic mullite microstructure.
T2  - Materials Science and Engineering: B
T1  - Structural, microstructural and mechanical properties of sintered iron-doped mullite
VL  - 256
SP  - 114543
DO  - 10.1016/j.mseb.2020.114543
ER  - 

@article{
author = "Ilić, Svetlana M. and Ivanovski, Valentin N. and Radovanović, Željko and Egelja, Adela and Kokunešoski, Maja and Šaponjić, Aleksandra and Matović, Branko",
year = "2020",
abstract = "The study of an effect of iron doping on the structural, microstructural and mechanical properties of sintered iron-doped mullite is presented. The results of phase composition, performed in detail by Mössbauer spectroscopy and XRD analysis, revealed that all added iron was inside the mullite lattice forming the single phase up to 12% by weight of Fe2O3 and 1300 °C. Samples, which were processed at 1550 °C, contained secondary phases, hematite or magnetite, regardless of the amount of added iron. Furthermore, the addition of iron decreases the values of relative linear shrinkage comparing to the values of undoped one (~18%) while the densities of the sintered samples rise as well as their values of microhardness. Even though the density values were not too high (90 TD%), the obtained values of microhardness were excellent, 1634 HV0.1 for maximum iron content due to the characteristic mullite microstructure.",
journal = "Materials Science and Engineering: B",
title = "Structural, microstructural and mechanical properties of sintered iron-doped mullite",
volume = "256",
pages = "114543",
doi = "10.1016/j.mseb.2020.114543"
}

Ilić, S. M., Ivanovski, V. N., Radovanović, Ž., Egelja, A., Kokunešoski, M., Šaponjić, A.,& Matović, B.. (2020). Structural, microstructural and mechanical properties of sintered iron-doped mullite. in Materials Science and Engineering: B, 256, 114543.
https://doi.org/10.1016/j.mseb.2020.114543

Ilić SM, Ivanovski VN, Radovanović Ž, Egelja A, Kokunešoski M, Šaponjić A, Matović B. Structural, microstructural and mechanical properties of sintered iron-doped mullite. in Materials Science and Engineering: B. 2020;256:114543.
doi:10.1016/j.mseb.2020.114543 .

Ilić, Svetlana M., Ivanovski, Valentin N., Radovanović, Željko, Egelja, Adela, Kokunešoski, Maja, Šaponjić, Aleksandra, Matović, Branko, "Structural, microstructural and mechanical properties of sintered iron-doped mullite" in Materials Science and Engineering: B, 256 (2020):114543,
https://doi.org/10.1016/j.mseb.2020.114543 . .

TY  - JOUR
AU  - Lazarević, Zorica Ž.
AU  - Križan, Gregor
AU  - Križan, Janez
AU  - Milutinović, Aleksandra N.
AU  - Ivanovski, Valentin N.
AU  - Mitrić, Miodrag
AU  - Gilić, Martina
AU  - Umićević, Ana
AU  - Kuryliszyn-Kudelska, Izabela
AU  - Romčević, Nebojša Ž.
PY  - 2019
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8501
AB  - Lithium iron phosphate (LiFePO4, LFP) is one of the widely used cathode materials for rechargeable lithium ion batteries. LFP batteries are widely used for electric vehicles and backup power due to their important advantages such as low cost, lifetime, efficiency, and reliability. There are still several technical challenges that need to be addressed: The increase of energy density or further reduction of their final cost. This paper concerned with the characterization of carbon coated LiFePO4 nanopowder cathode materials produced under different conditions by pulse combustion for providing energy to the reactor for the synthesis. The reactor was built according to the principles of the thermoacoustic burner on the basis of the Helmholtz resonator. The investigated nanopowders are synthesized by complete and incomplete combustion and calcined at 700 °C. The obtained samples were characterized by X-ray diffraction, Fourier transform infrared, Raman, and Mössbauer spectroscopy. Observed low-Temperature magnetic phase transitions definitively identified the crystal phases. The morphology of samples was controlled by scanning electron microscopy. The aim of this work is to show that it is possible to achieve a desired crystal phase by pulse combustion in a relatively cheap and fast way. The extremely rapid synthesis of almost pure phase material is possible due to the reduction in size of interacting particles and to an enormous number of collisions between them as a result of strong turbulent flow associated with explosive combustion. © 2019 Author(s).
T2  - Journal of Applied Physics
T1  - Characterization of LiFePO4 samples obtained by pulse combustion under various conditions of synthesis
VL  - 126
IS  - 8
SP  - 085109
DO  - 10.1063/1.5100358
ER  - 

@article{
author = "Lazarević, Zorica Ž. and Križan, Gregor and Križan, Janez and Milutinović, Aleksandra N. and Ivanovski, Valentin N. and Mitrić, Miodrag and Gilić, Martina and Umićević, Ana and Kuryliszyn-Kudelska, Izabela and Romčević, Nebojša Ž.",
year = "2019",
abstract = "Lithium iron phosphate (LiFePO4, LFP) is one of the widely used cathode materials for rechargeable lithium ion batteries. LFP batteries are widely used for electric vehicles and backup power due to their important advantages such as low cost, lifetime, efficiency, and reliability. There are still several technical challenges that need to be addressed: The increase of energy density or further reduction of their final cost. This paper concerned with the characterization of carbon coated LiFePO4 nanopowder cathode materials produced under different conditions by pulse combustion for providing energy to the reactor for the synthesis. The reactor was built according to the principles of the thermoacoustic burner on the basis of the Helmholtz resonator. The investigated nanopowders are synthesized by complete and incomplete combustion and calcined at 700 °C. The obtained samples were characterized by X-ray diffraction, Fourier transform infrared, Raman, and Mössbauer spectroscopy. Observed low-Temperature magnetic phase transitions definitively identified the crystal phases. The morphology of samples was controlled by scanning electron microscopy. The aim of this work is to show that it is possible to achieve a desired crystal phase by pulse combustion in a relatively cheap and fast way. The extremely rapid synthesis of almost pure phase material is possible due to the reduction in size of interacting particles and to an enormous number of collisions between them as a result of strong turbulent flow associated with explosive combustion. © 2019 Author(s).",
journal = "Journal of Applied Physics",
title = "Characterization of LiFePO4 samples obtained by pulse combustion under various conditions of synthesis",
volume = "126",
number = "8",
pages = "085109",
doi = "10.1063/1.5100358"
}

Lazarević, Z. Ž., Križan, G., Križan, J., Milutinović, A. N., Ivanovski, V. N., Mitrić, M., Gilić, M., Umićević, A., Kuryliszyn-Kudelska, I.,& Romčević, N. Ž.. (2019). Characterization of LiFePO4 samples obtained by pulse combustion under various conditions of synthesis. in Journal of Applied Physics, 126(8), 085109.
https://doi.org/10.1063/1.5100358

Lazarević ZŽ, Križan G, Križan J, Milutinović AN, Ivanovski VN, Mitrić M, Gilić M, Umićević A, Kuryliszyn-Kudelska I, Romčević NŽ. Characterization of LiFePO4 samples obtained by pulse combustion under various conditions of synthesis. in Journal of Applied Physics. 2019;126(8):085109.
doi:10.1063/1.5100358 .

Lazarević, Zorica Ž., Križan, Gregor, Križan, Janez, Milutinović, Aleksandra N., Ivanovski, Valentin N., Mitrić, Miodrag, Gilić, Martina, Umićević, Ana, Kuryliszyn-Kudelska, Izabela, Romčević, Nebojša Ž., "Characterization of LiFePO4 samples obtained by pulse combustion under various conditions of synthesis" in Journal of Applied Physics, 126, no. 8 (2019):085109,
https://doi.org/10.1063/1.5100358 . .

TY  - JOUR
AU  - Tian, Jianjun
AU  - Ivanovski, Valentin N.
AU  - Szalda, David
AU  - Lei, Hechang
AU  - Wang, Aifeng
AU  - Liu, Yu
AU  - Zhang, Weifeng
AU  - Koteski, Vasil J.
AU  - Petrović, Čedomir
PY  - 2019
UR  - http://pubs.acs.org/doi/10.1021/acs.inorgchem.8b03089
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8082
AB  - We report the synthesis and characterization of Fe 0.36(4) Pd 0.64(4) Se 2 with a pyrite-type structure. Fe 0.36(4) Pd 0.64(4) Se 2 was synthesized using ambient pressure flux crystal growth methods even though the space group Pa3 is high-pressure polymorph for both FeSe 2 and PdSe 2 . Combined experimental and theoretical analysis reveal magnetic spin glass state below 23 K in 1000 Oe that stems from random Fe/Pd occupancies on the same atomic site. The frozen-in magnetic randomness contributes significantly to electronic transport. Electronic structure calculations confirm dominant d-electron character of hybridized bands and large density of states near the Fermi level. Flux-grown single crystal alloys in Pd-Fe-Se atomic system therefore open new pathway for exploring different polymorphs in crystal structures and their novel properties. © 2019 American Chemical Society.
T2  - Inorganic Chemistry
T1  - Fe0.36(4)Pd 0.64(4)Se 2 : Magnetic Spin-Glass Polymorph of FeSe2 and PdSe2 Stable at Ambient Pressure
VL  - 58
IS  - 5
SP  - 3107
EP  - 3114
DO  - 10.1021/acs.inorgchem.8b03089
ER  - 

@article{
author = "Tian, Jianjun and Ivanovski, Valentin N. and Szalda, David and Lei, Hechang and Wang, Aifeng and Liu, Yu and Zhang, Weifeng and Koteski, Vasil J. and Petrović, Čedomir",
year = "2019",
abstract = "We report the synthesis and characterization of Fe 0.36(4) Pd 0.64(4) Se 2 with a pyrite-type structure. Fe 0.36(4) Pd 0.64(4) Se 2 was synthesized using ambient pressure flux crystal growth methods even though the space group Pa3 is high-pressure polymorph for both FeSe 2 and PdSe 2 . Combined experimental and theoretical analysis reveal magnetic spin glass state below 23 K in 1000 Oe that stems from random Fe/Pd occupancies on the same atomic site. The frozen-in magnetic randomness contributes significantly to electronic transport. Electronic structure calculations confirm dominant d-electron character of hybridized bands and large density of states near the Fermi level. Flux-grown single crystal alloys in Pd-Fe-Se atomic system therefore open new pathway for exploring different polymorphs in crystal structures and their novel properties. © 2019 American Chemical Society.",
journal = "Inorganic Chemistry",
title = "Fe0.36(4)Pd 0.64(4)Se 2 : Magnetic Spin-Glass Polymorph of FeSe2 and PdSe2 Stable at Ambient Pressure",
volume = "58",
number = "5",
pages = "3107-3114",
doi = "10.1021/acs.inorgchem.8b03089"
}

Tian, J., Ivanovski, V. N., Szalda, D., Lei, H., Wang, A., Liu, Y., Zhang, W., Koteski, V. J.,& Petrović, Č.. (2019). Fe0.36(4)Pd 0.64(4)Se 2 : Magnetic Spin-Glass Polymorph of FeSe2 and PdSe2 Stable at Ambient Pressure. in Inorganic Chemistry, 58(5), 3107-3114.
https://doi.org/10.1021/acs.inorgchem.8b03089

Tian J, Ivanovski VN, Szalda D, Lei H, Wang A, Liu Y, Zhang W, Koteski VJ, Petrović Č. Fe0.36(4)Pd 0.64(4)Se 2 : Magnetic Spin-Glass Polymorph of FeSe2 and PdSe2 Stable at Ambient Pressure. in Inorganic Chemistry. 2019;58(5):3107-3114.
doi:10.1021/acs.inorgchem.8b03089 .

Tian, Jianjun, Ivanovski, Valentin N., Szalda, David, Lei, Hechang, Wang, Aifeng, Liu, Yu, Zhang, Weifeng, Koteski, Vasil J., Petrović, Čedomir, "Fe0.36(4)Pd 0.64(4)Se 2 : Magnetic Spin-Glass Polymorph of FeSe2 and PdSe2 Stable at Ambient Pressure" in Inorganic Chemistry, 58, no. 5 (2019):3107-3114,
https://doi.org/10.1021/acs.inorgchem.8b03089 . .

TY  - JOUR
AU  - Ivanovski, Valentin N.
AU  - Belošević-Čavor, Jelena
AU  - Rajić, Vladimir
AU  - Umićević, Ana
AU  - Marković, Smilja
AU  - Kusigerski, Vladan
AU  - Mitrić, Miodrag
AU  - Koteski, Vasil J.
PY  - 2019
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8515
AB  - In order to study the effect of Fe cation substitution on the local structure, defect formation, and hyperfine interactions in ZnO, Mössbauer spectroscopy measurements of the microwave processed Zn 1 - x Fe x O (x = 0.05, 0.10, 0.15, and 0.20) nanoparticles, together with ab initio calculations, were performed. Complementary information on the distribution of particle size and morphology, as well as magnetic properties, were obtained by X-ray diffraction, transmission electron microscopy, and squid-magnetometry. The selected model for analyzing the Mössbauer spectra of our samples is a distribution of quadrupole splittings. The fitting model with two Lorentz doublets was rejected due to its failure to include larger doublets. The Fe 3 + ions do not yield magnetic ordering in the samples at room temperature. The results from first-principles calculations confirm that the major component of the Mössbauer spectra corresponds to the Fe-alloyed ZnO with Zn vacancy in the next nearest neighbor environment. The magnetic measurements are consistent with the description of the distribution of iron ions over the randomly formed clusters in the ZnO host lattice. While at room temperature all the samples are paramagnetic, magnetic interactions cause a transition into a cluster spin-glass state at low temperatures. © 2019 Author(s).
T2  - Journal of Applied Physics
T1  - A study of defect structures in Fe-alloyed ZnO: Morphology, magnetism, and hyperfine interactions
VL  - 126
IS  - 12
SP  - 125703
DO  - 10.1063/1.5095837
ER  - 

@article{
author = "Ivanovski, Valentin N. and Belošević-Čavor, Jelena and Rajić, Vladimir and Umićević, Ana and Marković, Smilja and Kusigerski, Vladan and Mitrić, Miodrag and Koteski, Vasil J.",
year = "2019",
abstract = "In order to study the effect of Fe cation substitution on the local structure, defect formation, and hyperfine interactions in ZnO, Mössbauer spectroscopy measurements of the microwave processed Zn 1 - x Fe x O (x = 0.05, 0.10, 0.15, and 0.20) nanoparticles, together with ab initio calculations, were performed. Complementary information on the distribution of particle size and morphology, as well as magnetic properties, were obtained by X-ray diffraction, transmission electron microscopy, and squid-magnetometry. The selected model for analyzing the Mössbauer spectra of our samples is a distribution of quadrupole splittings. The fitting model with two Lorentz doublets was rejected due to its failure to include larger doublets. The Fe 3 + ions do not yield magnetic ordering in the samples at room temperature. The results from first-principles calculations confirm that the major component of the Mössbauer spectra corresponds to the Fe-alloyed ZnO with Zn vacancy in the next nearest neighbor environment. The magnetic measurements are consistent with the description of the distribution of iron ions over the randomly formed clusters in the ZnO host lattice. While at room temperature all the samples are paramagnetic, magnetic interactions cause a transition into a cluster spin-glass state at low temperatures. © 2019 Author(s).",
journal = "Journal of Applied Physics",
title = "A study of defect structures in Fe-alloyed ZnO: Morphology, magnetism, and hyperfine interactions",
volume = "126",
number = "12",
pages = "125703",
doi = "10.1063/1.5095837"
}

Ivanovski, V. N., Belošević-Čavor, J., Rajić, V., Umićević, A., Marković, S., Kusigerski, V., Mitrić, M.,& Koteski, V. J.. (2019). A study of defect structures in Fe-alloyed ZnO: Morphology, magnetism, and hyperfine interactions. in Journal of Applied Physics, 126(12), 125703.
https://doi.org/10.1063/1.5095837

Ivanovski VN, Belošević-Čavor J, Rajić V, Umićević A, Marković S, Kusigerski V, Mitrić M, Koteski VJ. A study of defect structures in Fe-alloyed ZnO: Morphology, magnetism, and hyperfine interactions. in Journal of Applied Physics. 2019;126(12):125703.
doi:10.1063/1.5095837 .

Ivanovski, Valentin N., Belošević-Čavor, Jelena, Rajić, Vladimir, Umićević, Ana, Marković, Smilja, Kusigerski, Vladan, Mitrić, Miodrag, Koteski, Vasil J., "A study of defect structures in Fe-alloyed ZnO: Morphology, magnetism, and hyperfine interactions" in Journal of Applied Physics, 126, no. 12 (2019):125703,
https://doi.org/10.1063/1.5095837 . .

TY  - JOUR
AU  - Jugović, Dragana
AU  - Mitrić, Miodrag
AU  - Milović, Miloš
AU  - Ivanovski, Valentin N.
AU  - Škapin, Srečo Davor
AU  - Dojčinović, Biljana P.
AU  - Uskoković, Dragan
PY  - 2019
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8047
AB  - A new method involving the homogeneous dispersion of precursor compounds inside a methylcellulose matrix is used for the synthesis of a composite powder of Li 2 FeP 2 O 7 and carbon. The properties of carbon-containing and carbon-free powders are studied by X-ray powder diffraction (XRD) including Rietveld refinement, Mössbauer spectroscopy, Fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy (FESEM), galvanostatic cycling, and electrochemical impedance spectroscopy (EIS). The structure of both powders is refined in a monoclinic framework (space group P2 1 /c). The structural refinement and Mössbauer spectroscopy reveal different degrees of partial occupancy of mixed-occupied sites by lithium. Electrochemical measurements show that the in situ formation of carbon improves capacity (90% of 1-electron theoretical capacity) through decreased charge-transfer resistance. © 2019 Elsevier B.V.
T2  - Journal of Alloys and Compounds
T1  - Structural and electrochemical properties of the Li2FeP2O7/C composite prepared using soluble methylcellulose
VL  - 786
SP  - 912
EP  - 919
DO  - 10.1016/j.jallcom.2019.01.392
ER  - 

@article{
author = "Jugović, Dragana and Mitrić, Miodrag and Milović, Miloš and Ivanovski, Valentin N. and Škapin, Srečo Davor and Dojčinović, Biljana P. and Uskoković, Dragan",
year = "2019",
abstract = "A new method involving the homogeneous dispersion of precursor compounds inside a methylcellulose matrix is used for the synthesis of a composite powder of Li 2 FeP 2 O 7 and carbon. The properties of carbon-containing and carbon-free powders are studied by X-ray powder diffraction (XRD) including Rietveld refinement, Mössbauer spectroscopy, Fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy (FESEM), galvanostatic cycling, and electrochemical impedance spectroscopy (EIS). The structure of both powders is refined in a monoclinic framework (space group P2 1 /c). The structural refinement and Mössbauer spectroscopy reveal different degrees of partial occupancy of mixed-occupied sites by lithium. Electrochemical measurements show that the in situ formation of carbon improves capacity (90% of 1-electron theoretical capacity) through decreased charge-transfer resistance. © 2019 Elsevier B.V.",
journal = "Journal of Alloys and Compounds",
title = "Structural and electrochemical properties of the Li2FeP2O7/C composite prepared using soluble methylcellulose",
volume = "786",
pages = "912-919",
doi = "10.1016/j.jallcom.2019.01.392"
}

Jugović, D., Mitrić, M., Milović, M., Ivanovski, V. N., Škapin, S. D., Dojčinović, B. P.,& Uskoković, D.. (2019). Structural and electrochemical properties of the Li2FeP2O7/C composite prepared using soluble methylcellulose. in Journal of Alloys and Compounds, 786, 912-919.
https://doi.org/10.1016/j.jallcom.2019.01.392

Jugović D, Mitrić M, Milović M, Ivanovski VN, Škapin SD, Dojčinović BP, Uskoković D. Structural and electrochemical properties of the Li2FeP2O7/C composite prepared using soluble methylcellulose. in Journal of Alloys and Compounds. 2019;786:912-919.
doi:10.1016/j.jallcom.2019.01.392 .

Jugović, Dragana, Mitrić, Miodrag, Milović, Miloš, Ivanovski, Valentin N., Škapin, Srečo Davor, Dojčinović, Biljana P., Uskoković, Dragan, "Structural and electrochemical properties of the Li2FeP2O7/C composite prepared using soluble methylcellulose" in Journal of Alloys and Compounds, 786 (2019):912-919,
https://doi.org/10.1016/j.jallcom.2019.01.392 . .

TY  - JOUR
AU  - Jugović, Dragana
AU  - Mitrić, Miodrag
AU  - Milović, Miloš
AU  - Ivanovski, Valentin N.
AU  - Škapin, Srečo Davor
AU  - Dojčinović, Biljana P.
AU  - Uskoković, Dragan
PY  - 2019
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8052
AB  - A new method involving the homogeneous dispersion of precursor compounds inside a methylcellulose matrix is used for the synthesis of a composite powder of Li 2 FeP 2 O 7 and carbon. The properties of carbon-containing and carbon-free powders are studied by X-ray powder diffraction (XRD) including Rietveld refinement, Mössbauer spectroscopy, Fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy (FESEM), galvanostatic cycling, and electrochemical impedance spectroscopy (EIS). The structure of both powders is refined in a monoclinic framework (space group P2 1 /c). The structural refinement and Mössbauer spectroscopy reveal different degrees of partial occupancy of mixed-occupied sites by lithium. Electrochemical measurements show that the in situ formation of carbon improves capacity (90% of 1-electron theoretical capacity) through decreased charge-transfer resistance. © 2019 Elsevier B.V.
T2  - Journal of Alloys and Compounds
T1  - Structural and electrochemical properties of the Li2FeP2O7/C composite prepared using soluble methylcellulose
VL  - 786
SP  - 912
EP  - 919
DO  - 10.1016/j.jallcom.2019.01.392
ER  - 

@article{
author = "Jugović, Dragana and Mitrić, Miodrag and Milović, Miloš and Ivanovski, Valentin N. and Škapin, Srečo Davor and Dojčinović, Biljana P. and Uskoković, Dragan",
year = "2019",
abstract = "A new method involving the homogeneous dispersion of precursor compounds inside a methylcellulose matrix is used for the synthesis of a composite powder of Li 2 FeP 2 O 7 and carbon. The properties of carbon-containing and carbon-free powders are studied by X-ray powder diffraction (XRD) including Rietveld refinement, Mössbauer spectroscopy, Fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy (FESEM), galvanostatic cycling, and electrochemical impedance spectroscopy (EIS). The structure of both powders is refined in a monoclinic framework (space group P2 1 /c). The structural refinement and Mössbauer spectroscopy reveal different degrees of partial occupancy of mixed-occupied sites by lithium. Electrochemical measurements show that the in situ formation of carbon improves capacity (90% of 1-electron theoretical capacity) through decreased charge-transfer resistance. © 2019 Elsevier B.V.",
journal = "Journal of Alloys and Compounds",
title = "Structural and electrochemical properties of the Li2FeP2O7/C composite prepared using soluble methylcellulose",
volume = "786",
pages = "912-919",
doi = "10.1016/j.jallcom.2019.01.392"
}

Jugović, D., Mitrić, M., Milović, M., Ivanovski, V. N., Škapin, S. D., Dojčinović, B. P.,& Uskoković, D.. (2019). Structural and electrochemical properties of the Li2FeP2O7/C composite prepared using soluble methylcellulose. in Journal of Alloys and Compounds, 786, 912-919.
https://doi.org/10.1016/j.jallcom.2019.01.392

Jugović D, Mitrić M, Milović M, Ivanovski VN, Škapin SD, Dojčinović BP, Uskoković D. Structural and electrochemical properties of the Li2FeP2O7/C composite prepared using soluble methylcellulose. in Journal of Alloys and Compounds. 2019;786:912-919.
doi:10.1016/j.jallcom.2019.01.392 .

Jugović, Dragana, Mitrić, Miodrag, Milović, Miloš, Ivanovski, Valentin N., Škapin, Srečo Davor, Dojčinović, Biljana P., Uskoković, Dragan, "Structural and electrochemical properties of the Li2FeP2O7/C composite prepared using soluble methylcellulose" in Journal of Alloys and Compounds, 786 (2019):912-919,
https://doi.org/10.1016/j.jallcom.2019.01.392 . .

TY  - JOUR
AU  - Belošević-Čavor, Jelena
AU  - Koteski, Vasil J.
AU  - Umićević, Ana
AU  - Ivanovski, Valentin N.
PY  - 2018
UR  - http://linkinghub.elsevier.com/retrieve/pii/S0927025618303306
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/7700
AB  - Density functional theory (DFT) calculations were performed to address the effects of 5d transition metals (TM) doping on the electronic structure properties of rutile TiO2, using both the modified Becke-Johnson (mBJ) and on-site hybrid functional. The calculations show that there is a reduction of band gap in almost all the investigated cases, except when TiO2is doped with Ta. Some of the investigated systems (Re, W, Os, Ir) exhibit pronounced spin polarization, mainly arising from the TM atoms. In addition, a large increase of band gap is observed, when switching from a 24-atoms to 48-atoms supercell, while further enlarging the supercell size doesn't affect the band gap significantly. Among the investigated transition metals, Pt and Ir are the best candidates for improving the photocatalytic properties of rutile TiO2through substitutional doping.
T2  - Computational Materials Science
T1  - Effect of 5d transition metals doping on the photocatalytic properties of rutile TiO 2
VL  - 151
SP  - 328
EP  - 337
DO  - 10.1016/j.commatsci.2018.05.022
ER  - 

@article{
author = "Belošević-Čavor, Jelena and Koteski, Vasil J. and Umićević, Ana and Ivanovski, Valentin N.",
year = "2018",
abstract = "Density functional theory (DFT) calculations were performed to address the effects of 5d transition metals (TM) doping on the electronic structure properties of rutile TiO2, using both the modified Becke-Johnson (mBJ) and on-site hybrid functional. The calculations show that there is a reduction of band gap in almost all the investigated cases, except when TiO2is doped with Ta. Some of the investigated systems (Re, W, Os, Ir) exhibit pronounced spin polarization, mainly arising from the TM atoms. In addition, a large increase of band gap is observed, when switching from a 24-atoms to 48-atoms supercell, while further enlarging the supercell size doesn't affect the band gap significantly. Among the investigated transition metals, Pt and Ir are the best candidates for improving the photocatalytic properties of rutile TiO2through substitutional doping.",
journal = "Computational Materials Science",
title = "Effect of 5d transition metals doping on the photocatalytic properties of rutile TiO 2",
volume = "151",
pages = "328-337",
doi = "10.1016/j.commatsci.2018.05.022"
}

Belošević-Čavor, J., Koteski, V. J., Umićević, A.,& Ivanovski, V. N.. (2018). Effect of 5d transition metals doping on the photocatalytic properties of rutile TiO 2. in Computational Materials Science, 151, 328-337.
https://doi.org/10.1016/j.commatsci.2018.05.022

Belošević-Čavor J, Koteski VJ, Umićević A, Ivanovski VN. Effect of 5d transition metals doping on the photocatalytic properties of rutile TiO 2. in Computational Materials Science. 2018;151:328-337.
doi:10.1016/j.commatsci.2018.05.022 .

Belošević-Čavor, Jelena, Koteski, Vasil J., Umićević, Ana, Ivanovski, Valentin N., "Effect of 5d transition metals doping on the photocatalytic properties of rutile TiO 2" in Computational Materials Science, 151 (2018):328-337,
https://doi.org/10.1016/j.commatsci.2018.05.022 . .

TY  - JOUR
AU  - Karanac, Milica
AU  - Đolić, Maja B.
AU  - Veličković, Zlate S.
AU  - Kapidžić, Ana
AU  - Ivanovski, Valentin N.
AU  - Mitrić, Miodrag
AU  - Marinković, Aleksandar D.
PY  - 2018
UR  - https://linkinghub.elsevier.com/retrieve/pii/S030147971830803X
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/7875
AB  - The modification of the fly ash (FA) by magnetite (M) was performed to obtain FAM adsorbent with improved adsorption efficiency for arsenate removal from water. The novel low cost adsorbents are characterized by liquid nitrogen porosimetry (BET), scanning electron microscopy (SEM), X-ray diffraction (XRD), Mössbauer spectroscopy (MB) and Fourier transform infrared (FTIR) spectroscopy. The optimal conditions and key factors influencing the adsorbent synthesis are assessed using the response surface method (RSM). The adsorption experiment was carried out in a batch system by varying the contact time, temperature, pH, and mass of the adsorbent. The adsorption capacity of the FAM adsorbent for As(V), calculated by Langmuir model, was 19.14 mg g−1. The thermodynamic parameters showed spontaneity of adsorption with low endothermic character. The kinetic data followed the pseudo-second-order kinetic model (PSO), and Weber-Morris model indicated intra-particle diffusion as rate limiting step. Alternative to low desorption capability of the FAM was found by five consecutive adsorption/magnetite precipitation processes which gave exhausted layered adsorbent with 65.78 mg g−1 capacity. This research also has shed light on the mechanism of As(V)-ion adsorption, presenting a promising solution for the valorization of a widely abundant industrial waste. © 2018 Elsevier Ltd
T2  - Journal of Environmental Management
T1  - Efficient multistep arsenate removal onto magnetite modified fly ash
VL  - 224
SP  - 263
EP  - 276
DO  - 10.1016/j.jenvman.2018.07.051
ER  - 

@article{
author = "Karanac, Milica and Đolić, Maja B. and Veličković, Zlate S. and Kapidžić, Ana and Ivanovski, Valentin N. and Mitrić, Miodrag and Marinković, Aleksandar D.",
year = "2018",
abstract = "The modification of the fly ash (FA) by magnetite (M) was performed to obtain FAM adsorbent with improved adsorption efficiency for arsenate removal from water. The novel low cost adsorbents are characterized by liquid nitrogen porosimetry (BET), scanning electron microscopy (SEM), X-ray diffraction (XRD), Mössbauer spectroscopy (MB) and Fourier transform infrared (FTIR) spectroscopy. The optimal conditions and key factors influencing the adsorbent synthesis are assessed using the response surface method (RSM). The adsorption experiment was carried out in a batch system by varying the contact time, temperature, pH, and mass of the adsorbent. The adsorption capacity of the FAM adsorbent for As(V), calculated by Langmuir model, was 19.14 mg g−1. The thermodynamic parameters showed spontaneity of adsorption with low endothermic character. The kinetic data followed the pseudo-second-order kinetic model (PSO), and Weber-Morris model indicated intra-particle diffusion as rate limiting step. Alternative to low desorption capability of the FAM was found by five consecutive adsorption/magnetite precipitation processes which gave exhausted layered adsorbent with 65.78 mg g−1 capacity. This research also has shed light on the mechanism of As(V)-ion adsorption, presenting a promising solution for the valorization of a widely abundant industrial waste. © 2018 Elsevier Ltd",
journal = "Journal of Environmental Management",
title = "Efficient multistep arsenate removal onto magnetite modified fly ash",
volume = "224",
pages = "263-276",
doi = "10.1016/j.jenvman.2018.07.051"
}

Karanac, M., Đolić, M. B., Veličković, Z. S., Kapidžić, A., Ivanovski, V. N., Mitrić, M.,& Marinković, A. D.. (2018). Efficient multistep arsenate removal onto magnetite modified fly ash. in Journal of Environmental Management, 224, 263-276.
https://doi.org/10.1016/j.jenvman.2018.07.051

Karanac M, Đolić MB, Veličković ZS, Kapidžić A, Ivanovski VN, Mitrić M, Marinković AD. Efficient multistep arsenate removal onto magnetite modified fly ash. in Journal of Environmental Management. 2018;224:263-276.
doi:10.1016/j.jenvman.2018.07.051 .

Karanac, Milica, Đolić, Maja B., Veličković, Zlate S., Kapidžić, Ana, Ivanovski, Valentin N., Mitrić, Miodrag, Marinković, Aleksandar D., "Efficient multistep arsenate removal onto magnetite modified fly ash" in Journal of Environmental Management, 224 (2018):263-276,
https://doi.org/10.1016/j.jenvman.2018.07.051 . .

TY  - CONF
AU  - Cekić, Božidar
AU  - Ivanovski, Valentin
AU  - Codescu, Mirela Maria
AU  - Umićević, Ana
AU  - Ćirić, Katarina
AU  - Manta, Eugen
PY  - 2018
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12487
AB  - In this paper, it is reported the structural and magnetic properties of Nd13.7Pr0.7Dy0.2Fe73.1Co6.3Ga0.4B5.6 and Nd7.7Pr0.7Dy0.2Fe79.1Co6.3Ga0.4B5.6 magnetic nanocomposites, synthesized by melt-spinning and annealing methods. The Nd-Fe-B ribbons are melt-spun at v=30 m/s in high vacuum and annealed at 715oC for 4 min. in argon. Furthermore, X-ray diffraction and transmission 57Fe Mössbauer spectra at RT are used to investigate the effects of substituent elements: Dy, Pr, Co, Ga on the hard magnetic properties and microstructure of both nanocomposites. Analysis of Mössbauer spectra for Nd13.7Pr0.7Dy0.2Fe73.1Co6.3Ga0.4B5.6 is done in terms of ten Zeeman sextets, one paramagnetic doublet related to Nd1.1Fe4B4 phase and two hyperfine magnetic fields distributions extracted from spectrum. Similar result of analysis of the second nanocomposite is obtained with eleven sextets, one doublet and one distribution. One sextet corresponds to α-Fe phase, while we have identified six iron sextets corresponding to the six distinct iron sites in the Nd2Fe14B structure: 16k1, 16k2, 8j1, 8j2, 4c and 4e. The three remaining sextets belong to Fe3B structure with three inequivalent Fe sites: FeI(8g), FeII(8g) and FeIII(8g). The eleventh sextet of Nd7.7Pr0.7Dy0.2Fe79.1Co6.3Ga0.4B5.6 belongs to FeB. All relevant parameters for both nanocomposites: magnetic hyperfine field, isomer shift and quadrupole splitting are determined for each of these sites. To highlight the thermally induced structural transformations, the quenched samples have been analysed by differential scanning calorimetry and thermo-magnetic measurements. The magnetic properties, measured at RT on the quenched and annealed ribbons, revealed the relationship between the alloy chemical composition and processing.
PB  - Materials Research Forum
C3  - RoPM AM 2017 : 5th International Conference on Powder Metallurgy & Advanced Materials
T1  - Mössbauer spectroscopic analysis of (Nd,Pr,Dy)2(Fe,Co,Ga)14B/α-Fe permanent magnetic nanocomposites
VL  - 8
SP  - 70
EP  - 79
DO  - 10.21741/9781945291999-8
ER  - 

@conference{
author = "Cekić, Božidar and Ivanovski, Valentin and Codescu, Mirela Maria and Umićević, Ana and Ćirić, Katarina and Manta, Eugen",
year = "2018",
abstract = "In this paper, it is reported the structural and magnetic properties of Nd13.7Pr0.7Dy0.2Fe73.1Co6.3Ga0.4B5.6 and Nd7.7Pr0.7Dy0.2Fe79.1Co6.3Ga0.4B5.6 magnetic nanocomposites, synthesized by melt-spinning and annealing methods. The Nd-Fe-B ribbons are melt-spun at v=30 m/s in high vacuum and annealed at 715oC for 4 min. in argon. Furthermore, X-ray diffraction and transmission 57Fe Mössbauer spectra at RT are used to investigate the effects of substituent elements: Dy, Pr, Co, Ga on the hard magnetic properties and microstructure of both nanocomposites. Analysis of Mössbauer spectra for Nd13.7Pr0.7Dy0.2Fe73.1Co6.3Ga0.4B5.6 is done in terms of ten Zeeman sextets, one paramagnetic doublet related to Nd1.1Fe4B4 phase and two hyperfine magnetic fields distributions extracted from spectrum. Similar result of analysis of the second nanocomposite is obtained with eleven sextets, one doublet and one distribution. One sextet corresponds to α-Fe phase, while we have identified six iron sextets corresponding to the six distinct iron sites in the Nd2Fe14B structure: 16k1, 16k2, 8j1, 8j2, 4c and 4e. The three remaining sextets belong to Fe3B structure with three inequivalent Fe sites: FeI(8g), FeII(8g) and FeIII(8g). The eleventh sextet of Nd7.7Pr0.7Dy0.2Fe79.1Co6.3Ga0.4B5.6 belongs to FeB. All relevant parameters for both nanocomposites: magnetic hyperfine field, isomer shift and quadrupole splitting are determined for each of these sites. To highlight the thermally induced structural transformations, the quenched samples have been analysed by differential scanning calorimetry and thermo-magnetic measurements. The magnetic properties, measured at RT on the quenched and annealed ribbons, revealed the relationship between the alloy chemical composition and processing.",
publisher = "Materials Research Forum",
journal = "RoPM AM 2017 : 5th International Conference on Powder Metallurgy & Advanced Materials",
title = "Mössbauer spectroscopic analysis of (Nd,Pr,Dy)2(Fe,Co,Ga)14B/α-Fe permanent magnetic nanocomposites",
volume = "8",
pages = "70-79",
doi = "10.21741/9781945291999-8"
}

Cekić, B., Ivanovski, V., Codescu, M. M., Umićević, A., Ćirić, K.,& Manta, E.. (2018). Mössbauer spectroscopic analysis of (Nd,Pr,Dy)2(Fe,Co,Ga)14B/α-Fe permanent magnetic nanocomposites. in RoPM AM 2017 : 5th International Conference on Powder Metallurgy & Advanced Materials
Materials Research Forum., 8, 70-79.
https://doi.org/10.21741/9781945291999-8

Cekić B, Ivanovski V, Codescu MM, Umićević A, Ćirić K, Manta E. Mössbauer spectroscopic analysis of (Nd,Pr,Dy)2(Fe,Co,Ga)14B/α-Fe permanent magnetic nanocomposites. in RoPM AM 2017 : 5th International Conference on Powder Metallurgy & Advanced Materials. 2018;8:70-79.
doi:10.21741/9781945291999-8 .

Cekić, Božidar, Ivanovski, Valentin, Codescu, Mirela Maria, Umićević, Ana, Ćirić, Katarina, Manta, Eugen, "Mössbauer spectroscopic analysis of (Nd,Pr,Dy)2(Fe,Co,Ga)14B/α-Fe permanent magnetic nanocomposites" in RoPM AM 2017 : 5th International Conference on Powder Metallurgy & Advanced Materials, 8 (2018):70-79,
https://doi.org/10.21741/9781945291999-8 . .

TY  - JOUR
AU  - Lazarević, Zorica Ž.
AU  - Jovalekić, Čedomir
AU  - Gilic, Martina
AU  - Ivanovski, Valentin N.
AU  - Umićević, Ana
AU  - Sekulić, Dalibor L.
AU  - Romčević, Nebojša Ž.
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1778
AB  - Yttrium orthoferrite (YFeO3) powder was prepared by a mechanochemical synthesis from a mixture of Y2O3 and alpha-Fe2O3 powders in a planetary ball mill for 2.5 h. The obtained YFeO3 powder sample was characterized by X-ray diffraction (XRD), Raman and infrared spectroscopy. The average crystallite size calculated by the Scherrer equation was 12 nm. The Mossbauer spectroscopy at room temperature confirms the superparamagnetic character of YFeO3 orthoferrite sample.
T2  - Science of Sintering
T1  - Yttrium Orthoferrite Powder Obtained by the Mechanochemical Synthesis
VL  - 49
IS  - 3
SP  - 277
EP  - 284
DO  - 10.2298/SOS1703277L
ER  - 

@article{
author = "Lazarević, Zorica Ž. and Jovalekić, Čedomir and Gilic, Martina and Ivanovski, Valentin N. and Umićević, Ana and Sekulić, Dalibor L. and Romčević, Nebojša Ž.",
year = "2017",
abstract = "Yttrium orthoferrite (YFeO3) powder was prepared by a mechanochemical synthesis from a mixture of Y2O3 and alpha-Fe2O3 powders in a planetary ball mill for 2.5 h. The obtained YFeO3 powder sample was characterized by X-ray diffraction (XRD), Raman and infrared spectroscopy. The average crystallite size calculated by the Scherrer equation was 12 nm. The Mossbauer spectroscopy at room temperature confirms the superparamagnetic character of YFeO3 orthoferrite sample.",
journal = "Science of Sintering",
title = "Yttrium Orthoferrite Powder Obtained by the Mechanochemical Synthesis",
volume = "49",
number = "3",
pages = "277-284",
doi = "10.2298/SOS1703277L"
}

Lazarević, Z. Ž., Jovalekić, Č., Gilic, M., Ivanovski, V. N., Umićević, A., Sekulić, D. L.,& Romčević, N. Ž.. (2017). Yttrium Orthoferrite Powder Obtained by the Mechanochemical Synthesis. in Science of Sintering, 49(3), 277-284.
https://doi.org/10.2298/SOS1703277L

Lazarević ZŽ, Jovalekić Č, Gilic M, Ivanovski VN, Umićević A, Sekulić DL, Romčević NŽ. Yttrium Orthoferrite Powder Obtained by the Mechanochemical Synthesis. in Science of Sintering. 2017;49(3):277-284.
doi:10.2298/SOS1703277L .

Lazarević, Zorica Ž., Jovalekić, Čedomir, Gilic, Martina, Ivanovski, Valentin N., Umićević, Ana, Sekulić, Dalibor L., Romčević, Nebojša Ž., "Yttrium Orthoferrite Powder Obtained by the Mechanochemical Synthesis" in Science of Sintering, 49, no. 3 (2017):277-284,
https://doi.org/10.2298/SOS1703277L . .

TY  - JOUR
AU  - Toprek, Dragan
AU  - Koteski, Vasil J.
AU  - Belošević-Čavor, Jelena
AU  - Ivanovski, Valentin N.
AU  - Umićević, Ana
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1834
AB  - In this paper we investigated the effects of Fe-doping of the anatase TiO2 (1 0 1) surface on the crystal structure, electronic and optical properties, and impurity formation energy by means of density functional theory (DFT). The calculations were performed by the SIESTA DFT code and were carried out by using Troullier-Martins pseudopotentials for the 12-electron valence configuration (3s(2)3p(6)3d(2)4s(2)) of Ti atom, 6-electron valence configuration (2s(2)p(4)) of O atom and 8-electron valence configuration (3d(6)4s(2)) of Fe atom. We used a double- zeta basis set including polarization functions. All calculations were spin-polarized. The mechanism of narrowing the band gap and increasing the photocatalytic activity in the visible light region, of the doped TiO2 is discussed by investigating the density of state. The band gap decreases as the concentration of the dopant increases. The Partial Density of States (PDOS) is not the same in the case of spin-up state or spin-down state. Enhanced optical absorption, for light polarized in the z direction (parallel to the surface normal) is clearly observed for Fe doped as compared to the pure anatase TiO2 and the optical absorption is found to increase with the increase in the Fe concentration. The DFT results indicate that the source of the increasing photocatalytic activity in the visible light region of the Fe doped material is due to the introduction of additional electronic states within the band gap. Since the Fe atoms are more stable in Ti substitutional lattice positions for the entire range of Fermi energy E-F over the band gap, only this substitutional position is considered. We hope that our results will highlight a route to improved electronic and optical properties of anatase TiO2 for industrial applications. (C) 2017 Elsevier B.V. All rights reserved.
T2  - Computational and Theoretical Chemistry
T1  - Ab initio study of electronic and optical properties of Fe doped anatase TiO2 (101) surface
VL  - 1120
SP  - 17
EP  - 23
DO  - 10.1016/j.comptc.2017.09.024
ER  - 

@article{
author = "Toprek, Dragan and Koteski, Vasil J. and Belošević-Čavor, Jelena and Ivanovski, Valentin N. and Umićević, Ana",
year = "2017",
abstract = "In this paper we investigated the effects of Fe-doping of the anatase TiO2 (1 0 1) surface on the crystal structure, electronic and optical properties, and impurity formation energy by means of density functional theory (DFT). The calculations were performed by the SIESTA DFT code and were carried out by using Troullier-Martins pseudopotentials for the 12-electron valence configuration (3s(2)3p(6)3d(2)4s(2)) of Ti atom, 6-electron valence configuration (2s(2)p(4)) of O atom and 8-electron valence configuration (3d(6)4s(2)) of Fe atom. We used a double- zeta basis set including polarization functions. All calculations were spin-polarized. The mechanism of narrowing the band gap and increasing the photocatalytic activity in the visible light region, of the doped TiO2 is discussed by investigating the density of state. The band gap decreases as the concentration of the dopant increases. The Partial Density of States (PDOS) is not the same in the case of spin-up state or spin-down state. Enhanced optical absorption, for light polarized in the z direction (parallel to the surface normal) is clearly observed for Fe doped as compared to the pure anatase TiO2 and the optical absorption is found to increase with the increase in the Fe concentration. The DFT results indicate that the source of the increasing photocatalytic activity in the visible light region of the Fe doped material is due to the introduction of additional electronic states within the band gap. Since the Fe atoms are more stable in Ti substitutional lattice positions for the entire range of Fermi energy E-F over the band gap, only this substitutional position is considered. We hope that our results will highlight a route to improved electronic and optical properties of anatase TiO2 for industrial applications. (C) 2017 Elsevier B.V. All rights reserved.",
journal = "Computational and Theoretical Chemistry",
title = "Ab initio study of electronic and optical properties of Fe doped anatase TiO2 (101) surface",
volume = "1120",
pages = "17-23",
doi = "10.1016/j.comptc.2017.09.024"
}

Toprek, D., Koteski, V. J., Belošević-Čavor, J., Ivanovski, V. N.,& Umićević, A.. (2017). Ab initio study of electronic and optical properties of Fe doped anatase TiO2 (101) surface. in Computational and Theoretical Chemistry, 1120, 17-23.
https://doi.org/10.1016/j.comptc.2017.09.024

Toprek D, Koteski VJ, Belošević-Čavor J, Ivanovski VN, Umićević A. Ab initio study of electronic and optical properties of Fe doped anatase TiO2 (101) surface. in Computational and Theoretical Chemistry. 2017;1120:17-23.
doi:10.1016/j.comptc.2017.09.024 .

Toprek, Dragan, Koteski, Vasil J., Belošević-Čavor, Jelena, Ivanovski, Valentin N., Umićević, Ana, "Ab initio study of electronic and optical properties of Fe doped anatase TiO2 (101) surface" in Computational and Theoretical Chemistry, 1120 (2017):17-23,
https://doi.org/10.1016/j.comptc.2017.09.024 . .

TY  - JOUR
AU  - Liu, Yu
AU  - Ivanovski, Valentin N.
AU  - Petrović, Čedomir
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1795
AB  - The critical properties of the single-crystalline van der Waals bonded ferromagnet Fe3-xGeTe2 were investigated by bulk dc magnetization around the paramagnetic to ferromagnetic (FM) phase transition. The Fe3-xGeTe2 single crystals grown by self-flux method with Fe deficiency x approximate to 0.36 exhibit bulk FM ordering below T-c = 152 K. The Mossbauer spectroscopy was used to provide information on defects and local atomic environment in such crystals. Critical exponents beta = 0.372(4) with a critical temperature T-c = 151.25(5) K and gamma = 1.265(15) with T-c = 151.17(12) K are obtained by the Kouvel-Fisher method, whereas d = 4.50(1) is obtained by a critical isotherm analysis at T-c = 151 K. These critical exponents obey theWidom scaling relation delta = 1 + gamma/beta, indicating self-consistency of the obtained values. With these critical exponents the isothermM(H) curves below and above the critical temperatures collapse into two independent universal branches, obeying the single scaling equation m = f +/- (h), where m and h are renormalized magnetization and field, respectively. The exponents determined in this study are close to those calculated from the results of the renormalization group approach for a heuristic model of three-dimensional Heisenberg (d = 3, n = 3) spins coupled with the attractive long-range interactions between spins that decay as J (r) approximate to r(-(3+ sigma)) with sigma = 1.89.
T2  - Physical Review B: Condensed Matter and Materials Physics
T1  - Critical behavior of the van derWaals bonded ferromagnet Fe3-xGeTe2
VL  - 96
IS  - 14
DO  - 10.1103/PhysRevB.96.144429
ER  - 

@article{
author = "Liu, Yu and Ivanovski, Valentin N. and Petrović, Čedomir",
year = "2017",
abstract = "The critical properties of the single-crystalline van der Waals bonded ferromagnet Fe3-xGeTe2 were investigated by bulk dc magnetization around the paramagnetic to ferromagnetic (FM) phase transition. The Fe3-xGeTe2 single crystals grown by self-flux method with Fe deficiency x approximate to 0.36 exhibit bulk FM ordering below T-c = 152 K. The Mossbauer spectroscopy was used to provide information on defects and local atomic environment in such crystals. Critical exponents beta = 0.372(4) with a critical temperature T-c = 151.25(5) K and gamma = 1.265(15) with T-c = 151.17(12) K are obtained by the Kouvel-Fisher method, whereas d = 4.50(1) is obtained by a critical isotherm analysis at T-c = 151 K. These critical exponents obey theWidom scaling relation delta = 1 + gamma/beta, indicating self-consistency of the obtained values. With these critical exponents the isothermM(H) curves below and above the critical temperatures collapse into two independent universal branches, obeying the single scaling equation m = f +/- (h), where m and h are renormalized magnetization and field, respectively. The exponents determined in this study are close to those calculated from the results of the renormalization group approach for a heuristic model of three-dimensional Heisenberg (d = 3, n = 3) spins coupled with the attractive long-range interactions between spins that decay as J (r) approximate to r(-(3+ sigma)) with sigma = 1.89.",
journal = "Physical Review B: Condensed Matter and Materials Physics",
title = "Critical behavior of the van derWaals bonded ferromagnet Fe3-xGeTe2",
volume = "96",
number = "14",
doi = "10.1103/PhysRevB.96.144429"
}

Liu, Y., Ivanovski, V. N.,& Petrović, Č.. (2017). Critical behavior of the van derWaals bonded ferromagnet Fe3-xGeTe2. in Physical Review B: Condensed Matter and Materials Physics, 96(14).
https://doi.org/10.1103/PhysRevB.96.144429

Liu Y, Ivanovski VN, Petrović Č. Critical behavior of the van derWaals bonded ferromagnet Fe3-xGeTe2. in Physical Review B: Condensed Matter and Materials Physics. 2017;96(14).
doi:10.1103/PhysRevB.96.144429 .

Liu, Yu, Ivanovski, Valentin N., Petrović, Čedomir, "Critical behavior of the van derWaals bonded ferromagnet Fe3-xGeTe2" in Physical Review B: Condensed Matter and Materials Physics, 96, no. 14 (2017),
https://doi.org/10.1103/PhysRevB.96.144429 . .

TY  - JOUR
AU  - Koteski, Vasil J.
AU  - Belošević-Čavor, Jelena
AU  - Umićević, Ana
AU  - Ivanovski, Valentin N.
AU  - Toprek, Dragan
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1721
AB  - Substitutionally and interstitially Cu/Nco-doped anatase TiO2(101) surface is investigated by using density functional theory (DFT) calculations. The results suggest improved visible light photocatalytic activity over undoped anatase TiO2. Sizable lattice relaxation around the dopants is observed, followed by a formation of N-O bond. Depending on the local arrangement of atoms, localized states above the valence band maximum, deep into the band gap, and below the conduction band minimum are found. In addition, our calculation also predict band gap narrowing. The hybridization of the Cu 3d and N 2p states within the band gap and the other electronic and optical properties suggest a synergistic effect of the dopants in the enhancement of the visible light absorption on the (101) anatase surface. (C) 2017 Elsevier B.V. All rights reserved.
T2  - Applied Surface Science
T1  - Improving the photocatalytic properties of anatase TiO2(101) surface by co-doping with Cu and N: Ab initio study
VL  - 425
SP  - 1095
EP  - 1100
DO  - 10.1016/j.apsusc.2017.07.064
ER  - 

@article{
author = "Koteski, Vasil J. and Belošević-Čavor, Jelena and Umićević, Ana and Ivanovski, Valentin N. and Toprek, Dragan",
year = "2017",
abstract = "Substitutionally and interstitially Cu/Nco-doped anatase TiO2(101) surface is investigated by using density functional theory (DFT) calculations. The results suggest improved visible light photocatalytic activity over undoped anatase TiO2. Sizable lattice relaxation around the dopants is observed, followed by a formation of N-O bond. Depending on the local arrangement of atoms, localized states above the valence band maximum, deep into the band gap, and below the conduction band minimum are found. In addition, our calculation also predict band gap narrowing. The hybridization of the Cu 3d and N 2p states within the band gap and the other electronic and optical properties suggest a synergistic effect of the dopants in the enhancement of the visible light absorption on the (101) anatase surface. (C) 2017 Elsevier B.V. All rights reserved.",
journal = "Applied Surface Science",
title = "Improving the photocatalytic properties of anatase TiO2(101) surface by co-doping with Cu and N: Ab initio study",
volume = "425",
pages = "1095-1100",
doi = "10.1016/j.apsusc.2017.07.064"
}

Koteski, V. J., Belošević-Čavor, J., Umićević, A., Ivanovski, V. N.,& Toprek, D.. (2017). Improving the photocatalytic properties of anatase TiO2(101) surface by co-doping with Cu and N: Ab initio study. in Applied Surface Science, 425, 1095-1100.
https://doi.org/10.1016/j.apsusc.2017.07.064

Koteski VJ, Belošević-Čavor J, Umićević A, Ivanovski VN, Toprek D. Improving the photocatalytic properties of anatase TiO2(101) surface by co-doping with Cu and N: Ab initio study. in Applied Surface Science. 2017;425:1095-1100.
doi:10.1016/j.apsusc.2017.07.064 .

Koteski, Vasil J., Belošević-Čavor, Jelena, Umićević, Ana, Ivanovski, Valentin N., Toprek, Dragan, "Improving the photocatalytic properties of anatase TiO2(101) surface by co-doping with Cu and N: Ab initio study" in Applied Surface Science, 425 (2017):1095-1100,
https://doi.org/10.1016/j.apsusc.2017.07.064 . .

TY  - JOUR
AU  - Koteski, Vasil J.
AU  - Ivanovski, Valentin N.
AU  - Umićević, Ana
AU  - Belošević-Čavor, Jelena
AU  - Toprek, Dragan
AU  - Mahnke, Heinz-Eberhard
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1688
AB  - Magnetic ground states, local crystallographic environment of Fe, and hyperfine interaction parameters in tetragonal FeX (X = S, Se, Te) are investigated by means of density functional theory (DFT) calculations using augmented plane waves plus local orbitals (APW + lo) method. We use several different magnetic configurations to evaluate the magnetic and electronic properties of this system, as well as the hyperfine interaction parameters at Fe lattice site. The results obtained for the ground state collinear anti-ferromagnetic arrangement relatively well reproduce the quadrupole splitting and isomer shifts from the available Mossbauer measurements. The Baders atoms in molecule charge density analysis indicates bonding of closed-shell type and a sizable charge transfer from Fe to X. The system properties are sensitive to the structural optimization of the position of the chalcogen atom with respect to the iron plane. (C) 2017 Elsevier B.V. All rights reserved.
T2  - Journal of Magnetism and Magnetic Materials
T1  - First-principles calculations of tetragonal FeX (X = S, Se, Te): Magnetism, hyperfine-interaction, and bonding
VL  - 441
SP  - 769
EP  - 775
DO  - 10.1016/j.jmmm.2017.06.092
ER  - 

@article{
author = "Koteski, Vasil J. and Ivanovski, Valentin N. and Umićević, Ana and Belošević-Čavor, Jelena and Toprek, Dragan and Mahnke, Heinz-Eberhard",
year = "2017",
abstract = "Magnetic ground states, local crystallographic environment of Fe, and hyperfine interaction parameters in tetragonal FeX (X = S, Se, Te) are investigated by means of density functional theory (DFT) calculations using augmented plane waves plus local orbitals (APW + lo) method. We use several different magnetic configurations to evaluate the magnetic and electronic properties of this system, as well as the hyperfine interaction parameters at Fe lattice site. The results obtained for the ground state collinear anti-ferromagnetic arrangement relatively well reproduce the quadrupole splitting and isomer shifts from the available Mossbauer measurements. The Baders atoms in molecule charge density analysis indicates bonding of closed-shell type and a sizable charge transfer from Fe to X. The system properties are sensitive to the structural optimization of the position of the chalcogen atom with respect to the iron plane. (C) 2017 Elsevier B.V. All rights reserved.",
journal = "Journal of Magnetism and Magnetic Materials",
title = "First-principles calculations of tetragonal FeX (X = S, Se, Te): Magnetism, hyperfine-interaction, and bonding",
volume = "441",
pages = "769-775",
doi = "10.1016/j.jmmm.2017.06.092"
}

Koteski, V. J., Ivanovski, V. N., Umićević, A., Belošević-Čavor, J., Toprek, D.,& Mahnke, H.. (2017). First-principles calculations of tetragonal FeX (X = S, Se, Te): Magnetism, hyperfine-interaction, and bonding. in Journal of Magnetism and Magnetic Materials, 441, 769-775.
https://doi.org/10.1016/j.jmmm.2017.06.092

Koteski VJ, Ivanovski VN, Umićević A, Belošević-Čavor J, Toprek D, Mahnke H. First-principles calculations of tetragonal FeX (X = S, Se, Te): Magnetism, hyperfine-interaction, and bonding. in Journal of Magnetism and Magnetic Materials. 2017;441:769-775.
doi:10.1016/j.jmmm.2017.06.092 .

Koteski, Vasil J., Ivanovski, Valentin N., Umićević, Ana, Belošević-Čavor, Jelena, Toprek, Dragan, Mahnke, Heinz-Eberhard, "First-principles calculations of tetragonal FeX (X = S, Se, Te): Magnetism, hyperfine-interaction, and bonding" in Journal of Magnetism and Magnetic Materials, 441 (2017):769-775,
https://doi.org/10.1016/j.jmmm.2017.06.092 . .