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dc.contributor.author이승철-
dc.contributor.author김종섭-
dc.contributor.author김형준-
dc.contributor.authorMahesh Chandran-
dc.contributor.author임상혁-
dc.contributor.author홍기하-
dc.date.accessioned2021-06-09T04:23:55Z-
dc.date.available2021-06-09T04:23:55Z-
dc.date.issued2018-08-
dc.identifier.citationVOL 6, NO 8, 084903-
dc.identifier.issn2166-532X-
dc.identifier.other54213-
dc.identifier.urihttp://pubs.kist.re.kr/handle/201004/70909-
dc.description.abstractDouble perovskites using dual metal cations are promising candidates for Pb-free perovskites. This study shows that the electronic structures of double perovskites (A(2)B(+)B(3+)X(6)) can be significantly modulated by cation ordering changes. The bandgap of Cs2AgBiCl6 can be affected by changing octahedron alignments, and even zero gap states can be realized for the 2-dimensional BiCl6 (AgCl6) configuration. It is presented that different types of B+/B3+-site orderings in double perovskites could be the origin of bandgap dispersion. Comparative studies on the various compositions show that, among B+/B3+ cations, Tl/Bi could be promising for the suppression of ordering variation.-
dc.publisherAPL materials-
dc.subjectDouble Perovskite-
dc.subjectCation ordering change-
dc.subjectDensity Functional Theory-
dc.subjectSolar Cell Materials-
dc.titleImpacts of cation ordering on bandgap dispersion of double perovskites-
dc.typeArticle-
dc.relation.page084903-
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