Researchers



Results 61-80 of 211
Issue DateTitleAuthor(s)TypeМp-cat.
2024Study of lanthanum fluoride selenides using a combination of crystal structure prediction and DFT calculations with experimental synthesis and characterizationZagorac, Dejan  ; Buyer, Constantin; Zagorac, Jelena  ; Grossholz, Hagen; Wolf, Sarah; Škundrić, Tamara  ; Pejić, Milan  ; Jovanović, Dušica; Schön, Christian J.; Schleid, ThomasConference Paper
Mp. category will be shown later
2024Novel modifications of Ti4Nb alloy: a multi-methodological approachZagorac, Dejan  ; Zagorac, Jelena  ; Škundrić, Tamara  ; Pejić, Milan  ; Yadav, Kedar; Jovanović, Dušica; Cvijović-Alagić, Ivana  ; Prasad, Dasari L.V. K.Article
53M53
2024Structure-property relationship of AlN/BN mixed compounds on DFT levelZagorac, Dejan  ; Zagorac, Jelena  ; Fonović, Matej; Škundrić, Tamara  ; Pejić, Milan  ; Jovanović, Dušica; Đukić, Miloš B.  ; Matović, Branko  Conference Paper
Mp. category will be shown later
2024Data-driven discovery and DFT modeling of Fe4H on the atomistic levelZagorac, Dejan  ; Zagorac, Jelena  ; Đukić, Miloš B.  ; Bal, Burak; Schön, Christian J.Conference Paper
Mp. category will be shown later
2024Structure Prediction and Mechanical Properties of Tantalum Carbide (TaC) on ab initio LevelZagorac, Dejan  ; Zagorac, Jelena B.  ; Škundrić, Tamara  ; Pejić, Milan  ; Jovanović, Dušica; Schön, Christian J.Article
22M22
2024Structures, Phase Stability, Amorphization, and Decomposition of V6O13 at High Pressures and Temperatures: Synthesis of Rutile-Related V0.92O2Grzechnik, Andrzej; Hakala, Viliam; Kurig, Sophia; Walte, Nicolas; Tsujino, Noriyoshi; Kakizawa, Sho; Higo, Yuji; Zagorac, Dejan  ; Zagorac, Jelena  ; Dronskowski, Richard;
Schön, Christian; Friese, Karen;
Article
21M21
2023Energy landscape and crystal structure investigations of lanthanum fluoro sulfide LaFSPejić, Milan  ; Zagorac, Dejan  ; Schön, Christian; Zagorac, Jelena  ; Škundrić, Tamara  ; Matović, Branko  Conference Paper
Mp. category will be shown later
2023Exploring the energy landscape and crystal structures of CrSi2N4Škundrić, Tamara  ; Schön, Christian; Zarubica, Aleksandra  ; Fonović, Matej; Zagorac, Dejan  Article
22M22
2023Scandium oxychloride (SCOCL): structure prediction using a multi-methodological approachZagorac, Dejan  ; Zagorac, Jelena  ; Škundrić, Tamara  ; Pejić, Milan  ; Jovanović, Dušica; Fonović, Matej; Schön, ChristianConference Paper
Mp. category will be shown later
2023Structural properties o multicomponent solid solutions with pyrochlore structure on DFT levelPejić, Milan  ; Zagorac, Dejan  ; Zagorac, Jelena  ; Škundrić, Tamara  ; Matović, Branko  Conference Paper
Mp. category will be shown later
2023Theoretical study of new hybrid organic-inorganic perovskites: Guanidinium-BX3 substituted by B=(Sn2+, Ge2+, Ba2+, Zn2+) and X=(I−, Br−)Jovanović, Dušica; Zagorac, Dejan  ; Schön, Christian; Zagorac, Jelena  Conference Paper
Mp. category will be shown later
2023Computational discovery of new feasible crystal structures in Ce3O3NZagorac, Jelena  ; Schön, Christian; Jovanović, Dušica; Zagorac, Dejan  ; Škundrić, Tamara  ; Pejić, Milan  ; Prekajski, Marija D.  ; Matović, Branko  Conference Paper
Mp. category will be shown later
2023Enhancement of weak ferromagnetism, exotic structure prediction and diverse electronic properties in holmium substituted multiferroic bismuth ferriteČebela, Maria  ; Zagorac, Dejan  ; Popov, Igor  ; Torić, Filip; Klaser, Teodoro; Skoko, Željko; Pajić, DamirArticle
21M21
2023Modeling and Simulation of Advanced Ceramic MaterialsZagorac, Dejan  Conference Paper
Mp. category will be shown later
2023Synthesis, Characterization, and Electronic Properties of ZnO/ZnS Core/Shell Nanostructures Investigated Using a Multidisciplinary ApproachZagorac, Jelena  ; Zagorac, Dejan  ; Šrot, Vesna; Ranđelović, Marjan  ; Pejić, Milan  ; van Aken, Peter A.; Matović, Branko  ; Schön, Christian J.Article
21M21
2023Fundamental insight into the formation of the zinc oxide crystal structureFischer, Dieter; Zagorac, Dejan  ; Schön, J. ChristianArticle
22M22
2023Energy Landscape of Relaxation and Interaction of an Amino Acid, Glutamine (L), on Pristine and Au/Ag/Cu-Doped TiO2 SurfacesJovanović, Dušica; Schön, Johann Christian; Zagorac, Dejan  ; Zarubica, Aleksandra  ; Matović, Branko  ; Zagorac, Jelena  Article
21M21
2023Fabrication and characterization of high entropy pyrochlore ceramicsMatović, Branko  ; Zagorac, Dejan  ; Cvijović-Alagić, Ivana  ; Zagorac, Jelena B.  ; Butulija, Svetlana  ; Erčić, Jelena  ; Hanzel, Ondrej; Sedlák, Richard; Lisnichuk, Maksym; Tatarko, PeterArticle
21M21
2023Computational Discovery of New Feasible Crystal Structures in Ce3O3NZagorac, Jelena  ; Schön, Christian; Matović, Branko  ; Pejić, Milan  ; Prekajski-Đorđević, Marija  ; Zagorac, Dejan  Article
21M21
2023Data-Mining Ab Initio Study of Gypsum and CaCO3 Modifications at Standard and Extreme ConditionsŠkundrić, Tamara  ; Matović, Branko  ; Zarubica, Aleksandra  ; Chudoba, Dorota; Zagorac, Dejan  Article
54M54