Приказ основних података о документу
ZnO/ZnS (hetero)structures: ab initio investigations of polytypic behavior of mixed ZnO and ZnS compounds
dc.creator | Zagorac, Dejan | |
dc.creator | Zagorac, Jelena B. | |
dc.creator | Schön, Johann Christian | |
dc.creator | Stojanović, Nemanja | |
dc.creator | Matović, Branko | |
dc.date.accessioned | 2019-02-28T12:13:19Z | |
dc.date.available | 2019-02-28T12:13:19Z | |
dc.date.issued | 2018 | |
dc.identifier.issn | 2052-5206 | |
dc.identifier.uri | http://scripts.iucr.org/cgi-bin/paper?S2052520618014099 | |
dc.identifier.uri | https://vinar.vin.bg.ac.rs/handle/123456789/8063 | |
dc.description.abstract | The range of feasible ZnO/ZnS polytypes has been explored, predicting alternative structural arrangements compared with previously suggested or observed structural forms of ZnO/ZnS compounds, including bulk crystal structures, various nanostructures, heterostructures and heterojunctions. All calculations were performed ab initio using density functional theory–local density approximation and hybrid Heyd–Scuseria–Ernzerhof functionals. Specifically, pure ZnO and ZnS compounds and mixed ZnO 1– x S x compounds ( x = 0.20, 0.25, 0.33, 0.50, 0.60, 0.66 and 0.75) are investigated and a multitude of possible stable polytypes for ZnO/ZnS compounds creating new possibilities for synthesis of new materials with improved physical and chemical properties are identified. | en |
dc.language.iso | en | |
dc.relation | info:eu-repo/grantAgreement/MESTD/Integrated and Interdisciplinary Research (IIR or III)/45012/RS// | |
dc.rights | restrictedAccess | |
dc.source | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials | |
dc.subject | ab initio | en |
dc.subject | ZnO/ZnS | en |
dc.subject | polytypes | en |
dc.subject | heterostructures | en |
dc.subject | density functional theory (DFT) | en |
dc.subject | DFT-LDA | en |
dc.title | ZnO/ZnS (hetero)structures: ab initio investigations of polytypic behavior of mixed ZnO and ZnS compounds | en |
dc.type | article | en |
dc.rights.license | ARR | |
dcterms.abstract | Загорац, Јелена; Сцхöн, Ј Цхристиан; Стојановић, Немања; Загорац, Дејан; Матовић, Бранко; | |
dc.rights.holder | © International Union of Crystallography, 2018 | |
dc.citation.volume | 74 | |
dc.citation.issue | 6 | |
dc.citation.spage | 628 | |
dc.citation.epage | 642 | |
dc.identifier.wos | 000452796800015 | |
dc.identifier.doi | 10.1107/S2052520618014099 | |
dc.citation.rank | aM21 | |
dc.type.version | publishedVersion | |
dc.identifier.scopus | 2-s2.0-85057134649 |
Документи
Овај документ се појављује у следећим колекцијама
-
Radovi istraživača
Researchers' publications