2020-2025

PUBLICATIONS
List of scientific papers of the L-TIM associates that were published in the period 2020-2025

A list of original scientific publications, classified in accordance with a categorization of the Ministry of Science, Technological Development and Innovation of the Republic of Serbia is given as follows:

M13
М13-1. D. Zagorac, J.C. Schön, Energy landscapes of pure and doped ZnO: from bulk crystals to nanostructures, Frontiers of Nanoscience, 21, 2022, 151-193.
M21a
М21а-1. D. Zagorac, M. Fonović, S. Butulija, A. Luković, V. Maksimović, J. Zagorac, B. Matović, A multi-disciplinary study of yttrium effect on the electronic structure of hafnia, Journal of Alloys and Compounds,1010, 2025, 178343.
М21а-2. I. Cvijović-Alagić, M. Rakin, S. Laketić, D. Zagorac, Microstructural study of Ti-45Nb alloy before and after HPT processing using experimental and ab initio data mining approach, Materials Characterization, 169, 2020, 110635.
М21а-3. B. Matović, J. Maletaškić, J. Zagorac, V. Pavkov, R.S.S. Maki, K. Yoshida, T. Yano, Synthesis and characterization of pyrochlore lanthanide (Pr, Sm) zirconate ceramics. Journal of the European Ceramic Society, 40(7), 2020, 2652-2657.
M21
М21-1. M. Čebela, P. Šenjug, D. Zagorac, I. Popov, J. Zagorac, M. Rosić, D. Pajić, Synthesis, Structural and Magnetic Properties of BiFeO3 Substituted with Ag, Materials 2025, 18, 1453.
М21-2. D. Zagorac, C. Buyer, J. Zagorac, T. Škundrić, J.C. Schön, T, Schleid, Band-Gap Engineering and Unusual Behavior of Electronic Properties during Anion Substitution of Sulfur in LaFSe, Crystal Growth & Design, 24(4), 2024, 1648-1657.
М21-3. A. Grzechnik, B.V. Hakala, S. Kurig, N. Walte, N. Tsujino, S. Kakizawa, Y. Higo, D. Zagorac, J. Zagorac, R. Dronskowski, J.C. Schön, K. Friese, Structures, Phase Stability, Amorphization, and Decomposition of V6O13 at High Pressures and Temperatures: Synthesis of Rutile-Related V0.92O2, Crystal Growth & Design, 24, 2024, 5582-5592.
М21-4. D. Zagorac, D.L.V.K. Prasad, T. Škundrić, K. Yadav, S. Singh, S. Laketić, J. Zagorac, M. Momčilović, I. Cvijović-Alagić, Mechanical properties and behavior of the Ti-45Nb alloy subjected to extreme conditions, CrystEngComm, 26, 2024, 2989-3004.
М21-5. B. Matović, N.M. Belozerova, D.P. Kozlenko, I.Yu. Zel, J. Maletaškić, D. Zagorac, S. Butulija, I. Cvijović-Alagić, High-Pressure Behavior of High-Entropy A2B2O7 Pyrochlore, Ceramics International, 50, 2024, 52673-52678.
М21-6. B. Matović, D. Zagorac, I. Cvijović-Alagić, J. Zagorac, S. Butulija, J. Erčić, O. Hanzel, R. Sedlák, M. Lisnichuk, P. Tatarko, Fabrication and characterization of high entropy pyrochlore ceramics, Boletin de La Sociedad Espanola de Ceramica Y Vidrio, 62(1), 2023, 66 – 76.
М21-7. B. Matović, J. Maletaškić, V. Maksimović, S.P, Dimitrijević, B. Todorović, M. Pejić, D. Zagorac, J. Zagorac, Y.P. Zeng, I. Cvijović-Alagić, Multicomponent solid solution with pyrochlore structure, Synthesis and characterization of high-entropy A2B2O7 pyrochlore with multiple elements at A and B sites, Boletín de la Sociedad Española de Cerámica y Vidri, 62(6), 2023,515-526.
М21-8. D. Jovanović, J.Ch. Schön, D. Zagorac, A, Zarubica, B. Matović, J. Zagorac, Energy Landscape of Relaxation and Interaction of an Amino Acid, Glutamine (L), on Pristine and Au/Ag/Cu-Doped TiO2 Surfaces, Nanomaterials, 13(19), 2023, 2688.
М21-9. M. Čebela, D. Zagorac, I. Popov, F. Torić, T. Klaser, Ž. Skoko, D. Pajić, Enhancement of weak ferromagnetism, exotic structure prediction and diverse electronic properties in holmium substituted multiferroic bismuth ferrite, Physical Chemistry Chemical Physics, 25(33), 2023, 22345 – 223581.
М21-10. J. Zagorac, D. Zagorac, V. Šrot, M. Ranđelović, M. Pejić, P.A. van Aken, B. Matović, J.C. Schön, Synthesis, Characterization, and Electronic Properties of ZnO/ZnS Core/Shell Nanostructures Investigated Using a Multidisciplinary Approach, Materials, 16(1), 2023, 326.
М21-11. J. Zagorac, D. Zagorac, B. Babić, T. Prikhna, B. Matović, Effect of aluminium addition on the structure and electronic properties of boron nitride, Journal of Solid State Chemistry, 311, 2022, 123153.
М21-12. D. Zagorac, J. Zagorac, M. Pejić, B. Matović, J.C. Schön, Band Gap Engineering of Newly Discovered ZnO/ZnS Polytipic Nanomaterials, Nanomaterials 12(9), 2022, 1595.
М21-13. D. Fischer, D. Zagorac, J.C. Schön, The presence of superoxide ions and related dioxygen species in zinc oxide – A structural characterization by in situ Raman spectroscopy, Journal of Raman Spectroscopy, 53(12), 2022.
М21-14. C. Buyer, H. Grossholz, S. Wolf, D. Zagorac, J. Zagorac, J. C. Schön, T. Schleid, Crystal-Structure Prediction and Experimental Investigation of the Polymorphic Lanthanum Fluoride Selenides LaFSe and La2F4Se, Crystal Growth & Design, 22 (12), 2022, 7133-7142.
М21-15. T. Škundrić, B. Matović, A. Zarubica, J. Zagorac, P. Tatarko, D. Zagorac, Structure Prediction and Mechanical Properties of Silicon Hexaboride on Ab Initio Level, Materials, 14, 2021, 7887.

M22
М22-1. M. Fonović, J. Zagorac, M. Čebela, D. Jordanov, D. Zagorac; Discovery of a new zinc oxide semiconductor: 21R polytype, Structural Dynamics, 12 (2), 2025, 024101.
М22-2. D.T. Teppala, J. Bernauer, A. Rashid, M. Pejic, D. Zagorac, B. Matović, E. Ionescu, Single-Source Precursor Synthesis of a Compositionally Complex Early Transitional Metal Carbonitride (Ti,Zr,Hf,Nb,Ta)NC1−, Advanced Engineering Materials, 26, 2024, 2302165.
М22-3. J. Zagorac, J.C. Schön, B. Matović, S. Butulija, D. Zagorac, Hafnium Carbide: Prediction of Crystalline Structures and Investigation of Mechanical Properties, Crystals, 14, 2024, 340.
М22-4. D. Fischer, D. Zagorac, K. Küster, J.C. Schön, Synthesis of Two Structurally Different MgO Films Containing Dioxygen Species: Dioxygen Embedded at Grain Boundaries, and as Components of a Superfilled Rock Salt Structure, Coatings, 14, 2024, 1563
М22-5. B. Matović, J. Maletaškić, V. Maksimović, S. Dimitrijević, B. Todorović, J. Zagorac, A. Luković, Y-P. Zeng, I. Cvijović-Alagić, Synthesis and Characterization of High-Entropy A2B2O7 Pyrochlore with Multiple Elements at A and B Sites, Science of Sintering, 56, 2024, 123-130.
М22-6. B. Matović, J. Maletaškić, V. Maksimović, S.P. Dimitrijević, B. Todorović, J. Zagorac, A. Luković, Y.P. Zeng, I. Cvijović-Alagić, Synthesis and characterization of high-entropy A2B2O7 pyrochlore with multiple elements at A and B sites; Science of Sintering, 56(1), 2024.
М22-7. D. Fischer, D. Zagorac, J.C. Schön, Fundamental insight into the formation of the zinc oxide crystal structure, Thin Solid Films, 782, 2023, 140017.
М22-8. D. Zagorac, J. Zagorac, M. Fonović, T. Prikhna, B. Matović, Novel boron-rich aluminum nitride advanced ceramic materials, International Journal of Applied Ceramic Technology, 2023, 174–189.
М22-9. J. Zagorac, J.C. Schön, B. Matović, M. Pejić, M. Prekajski Đorđević, D. Zagorac, Computational Discovery of New Feasible Crystal Structures in Ce3O3N, Crystals,13(5), 2023, 774.
М22-10. D. Zagorac, J. Zagorac, M. Fonović, T. Prikhna, B. Matović, Novel boron-rich aluminium nitride advanced ceramic materials, International Journal of Applied Ceramics Technology, 20, 2022, 174-189.
М22-11. D. Jovanović, D. Zagorac, B. Matović, A. Zarubica, J. Zagorac, Anion substitution and influence of sulfur on the crystal structures, phase transitions, and electronic properties of mixed TiO2/TiS2 compounds, Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 77(5), 2021, 833-847.
М22-12. T. Škundrić, D. Zagorac, J.Ch. Schon, M. Pejić, B. Matović, Crystal Structure Prediction of the Novel Cr2SiN4 Compound via Global Optimization, Data Mining, and the PCAE Method; Crystals, 11(8), 2021, 891.
М22-13. B. Matović, J. Luković, D. Zagorac, O.S. Ivanova, A.E. Baranchikov, T.O. Shekunova, K.E. Yorov, O.M. Gajtko, L. Yang, M.N. Rumyantseva, V.K. Ivanov, Crystalline WO3 nanoparticles for NO2 sensing, Processing and Application of Ceramics, 14(4), 2020 282-292.
М22-14. J. Zagorac, D. Jovanović, T. Volkov-Husović, B. Matović, D. Zagorac, Structure prediction, high pressure effect and properties investigation of superhard B6O, Modeling and Simulation in Materials Science and Engineering, 28(3), 2020, 035004.
М22-15. J. Zagorac, J.C. Schön, B. Matović, T. Škundrić, D. Zagorac, Predicting Feasible Modifications of Ce2ON2 Using a Combination of Global Optimization and Data Mining, Journal of Phase Equilibria and Diffusion, 41(4), 2020, 538-549.
M23
М23-1. D. Zagorac, J. Zagorac, T. Škundrić, M. Pejić, D. Jovanović, J.C. Schön, Structure Prediction and Mechanical Properties of Tantalum Carbide (TaC) on ab initio Level, Zeitschrift für anorganische und allgemeine Chemie, 650, 2024, e202400088.
М23-2. B. Matović, J. Maletaškić, V. Maksimović, J. Zagorac, A. Luković, Y.P. Zeng, I. Cvijović-Alagić, Heavily doped high-entropy A2B2O7 pyrochlore, Processing and Application of Ceramics, 17, 2023, 113.
М23-3. T. Škundric, J.C. Schön, A. Zarubica, M. Fonovic, D. Zagorac, Exploring the energy landscape and crystal structures of CrSi2N4, Zeitschrift fur Anorganische und Allgemeine Chemie, 649, 2023, e202300130.
М23-4. D. Zagorac, J. Zagorac, M. Fonović, M. Pejić, J. C. Schön, Computational discovery of new modifications in scandium oxychloride (ScOCl) using a multi-methodological approach, Journal of Inorganic and General Chemistry, ZAAC, 648, 2022, e202200198.
М23-5. M. Pejić, D. Zagorac, J. Zagorac, B. Matović, J. C. Schön, Zeitschrift fur Anorganische und Allgemeine Chemie, 648, 2022, e202200308.
М23-6. D. Jovanović, D. Zagorac, J. C. Schön, B. Milovanović, J. Zagorac, A new theoretical model for hexagonal ice, Ih(d), from first principles investigations, Zeitschrift fur Naturforschung – Section B Journal of Chemical Sciences, 75(1-2), 2020, 125-128.