Density functional theory study on electronic and photocatalytic properties of orthorhombic AgInS2

Computational Materials Science

Volumn 91, Issue , 2014, Pages 159-164

  Liu, Jianjun ^a   Chen, Shifu ^a   Liu, Qinzhuang ^a   Zhu, Yongfa ^b   Lu, Yanfeng ^a  

^a HUAIBEI NORMAL UNIVERSITY   (China)

^b TSINGHUA UNIVERSITY   (China)

Author keywords

Ab initio calculations; Band structure; Photocatalytic properties

Indexed keywords

BAND STRUCTURE; DENSITY FUNCTIONAL THEORY; WATER POLLUTION;

AB INITIO CALCULATIONS; DENSITY FUNCTIONAL THEORY STUDIES; ELECTRON HOLE PAIRS; EXPERIMENTAL VALUES; PHOTOCATALYTIC PERFORMANCE; PHOTOCATALYTIC PROPERTY; VISIBLE-LIGHT IRRADIATION;

PHOTOCATALYSIS;

EID: 84901420074     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2014.05.010     Document Type: Article

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