High-throughput search of ternary chalcogenides for p-type transparent electrodes

Delafossite crystals are fascinating ternary oxides that have demonstrated transparent conductivity and ambipolar doping. Here we use a high-throughput approach based on density functional theory to find delafossite and related layered phases of composition ABX 2 , where A and B are elements of the...

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Veröffentlicht in:	Scientific reports 2017-03, Vol.7 (1), p.43179-43179, Article 43179
Hauptverfasser:	Shi, Jingming, Cerqueira, Tiago F. T., Cui, Wenwen, Nogueira, Fernando, Botti, Silvana, Marques, Miguel A. L.
Format:	Artikel
Sprache:	eng
Schlagworte:	639/301/119/995 Crystal structure Crystals Electrodes Humanities and Social Sciences Hybridization Metals multidisciplinary Oxides Science
Online-Zugang:	Volltext
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