First-principles study of dopants and defects in S-doped ZnO and its effect on photocatalytic activity

Computational Materials Science

Volumn 58, Issue , 2012, Pages 119-124

  Zhang, Haifeng ^a   Tao, Zhuo ^a   Xu, Wenguo ^a   Lu, Shixiang ^a   Yuan, Feng ^a  

^a BEIJING INSTITUTE OF TECHNOLOGY   (China)

Author keywords

First principles; Optical properties; Photocatalytic activity; S doped ZnO

Indexed keywords

ABSORPTION COEFFICIENTS; BAND GAP NARROWING; CRITICAL FACTORS; DENSITY FUNCTIONAL THEORIES (DFT); DIELECTRIC FUNCTIONS; DOPED ZNO; DOPING CONCENTRATION; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; IMAGINARY PARTS; LOW-ENERGY RANGE; NATIVE DEFECT; PHOTOCATALYTIC ACTIVITIES; PHOTOCATALYTIC ACTIVITY; S-DOPED; UV-LIGHT; UV-VISIBLE; VISIBLE LIGHT; ZNO;

DEFECTS; ELECTRONIC STRUCTURE; OPTICAL PROPERTIES; PHOTOCATALYSIS; ZINC; ZINC OXIDE;

DOPING (ADDITIVES);

EID: 84862791566     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2012.01.016     Document Type: Article

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