Researchers



Results 41-60 of 170
Issue DateTitleAuthor(s)TypeМp-cat.
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
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
2024Energy Landscape Exploration of Novel Rare Earth Chalcohalides LaXY(X=O,S; Y=I,F)Pejić, Milan  ; Zagorac, Dejan  ; Zagorac, Jelena  ; Škundrić, Tamara  ; Jovanović, Dušica; Matović, Branko  Conference Paper
Mp. category will be shown later
2024Multidisciplinary approach in investigating ZnO/ZnS core/shell nanostructuresZagorac, Jelena  ; Jovanović, Dušica; Zagorac, Dejan  ; Škundrić, Tamara  ; Pejić, Milan  ; Šrot, Vesna; Matović, Branko  Conference Paper
Mp. category will be shown later
2024Band-Gap Engineering and Unusual Behavior of Electronic Properties during Anion Substitution of Sulfur in LaFSeZagorac, Dejan  ; Buyer, Constantin; Zagorac, Jelena  ; Škundrić, Tamara  ; Schön, Christian; Schleid, ThomasArticle
21M21
2024Hafnium Carbide: Prediction of Crystalline Structures and Investigation of Mechanical PropertiesZagorac, Jelena  ; Schön, Johann Christian; Matović, Branko  ; Butulija, Svetlana  ; Zagorac, Dejan  Article
21M21
2023Ab initio investigation of the novel Cr2SiN4 compound under extreme pressure conditionsŠkundrić, Tamara  ; Zagorac, Dejan  ; Pejić, Milan  ; Jovanović, Dušica; Zagorac, Jelena  ; Matović, Branko  Conference Paper
Mp. category will be shown later
2023DFT Study of Crystalline TiO2 Phase Transitions Applicable in Extreme EnvironmentsJovanović, Dušica; Zagorac, Dejan  ; Zarubica, Aleksandra  ; Fonović, Matej; Zagorac, Jelena B.  Article
54M54
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
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
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
2023Heavily doped high-entropy A2B2O7 pyrochloreMatović, Branko  ; Maletaškić, Jelena  ; Maksimović, Vesna  ; Zagorac, Jelena  ; Luković, Aleksa  ; Zeng, Yu-Ping; Cvijović-Alagić, Ivana  Article
22M22
2023Multicomponent solid solution with pyrochlore structureMatović, Branko  ; Maletaškić, Jelena  ; Maksimović, Vesna  ; Dimitrijević, Stevan P.  ; Todorović, Bratislav  ; Pejić, Milan  ; Zagorac, Dejan  ; Zagorac, Jelena  ; Zeng, Yu-Ping; Cvijović-Alagić, Ivana  Article
21M21
2023Theoretical study of AlN/BN mixed chemical systems and their mechanical propertiesZagorac, Dejan  ; Zagorac, Jelena  ; Fonović, Matej; Škundrić, Tamara  ; Pejić, Milan  ; Jovanović, Dušica; Đukić, M.; Matović, Branko  Conference Paper
Mp. category will be shown later
2023ZnO/ZnS core/shell nanostructures: experiments combined with ab initio calculationsZagorac, Jelena B.  ; Zagorac, Dejan  ; Šrot, Vesna; Ranđelović, Marjan; Pejić, Milan  ; van Aken, Peter A.; Matović, Branko  ; Schön, Christian J.Conference Paper
Mp. category will be shown later
2023Energy landscape exploration and crystal structure prediction of two novel compounds in the Cr-Si-N systemŠkundrić, Tamara  ; Zagorac, Dejan  ; Pejić, Milan  ; Jovanović, Dušica; Zagorac, Jelena  ; Matović, Branko  Conference Paper
Mp. category will be shown later
2023DFT study of glutamine (L) molecule interaction with the 001 and 101 anatase slab surfaces in a vacuumJovanović, Dušica; Schön, Christian J.; Zagorac, Dejan  ; Zarubica, Aleksandra; Matović, Branko  ; Pejić, Milan  ; Škundrić, Tamara  ; Zagorac, Jelena B.  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
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