Hybrid functionals studies of structural and electronic properties of Zn xCd (1-x)S and (Zn xCd 1-x)(Se xS 1-x) solid solution photocatalysts

International Journal of Hydrogen Energy

Volumn 37, Issue 23, 2012, Pages 17870-17881

  Huang, Jin Dou ^a,b   Liu, Jian Yong ^a   Han, Ke Li ^a  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

Hybrid DFT; Photocatalyst; Solid solution; Special quasirandom structures

Indexed keywords

BAND EDGE; CONDUCTION-BAND MINIMUM; DENSITY FUNCTIONAL THEORY CALCULATIONS; DISORDERED ALLOY; EXCHANGE-CORRELATION FUNCTIONALS; HYBRID DFT; HYBRID FUNCTIONALS; LIGHT IRRADIATIONS; PHOTOCATALYTIC ACTIVITIES; PHOTOELECTROCHEMICAL HYDROGEN PRODUCTION; PHOTOGENERATED HOLES; SPECIAL QUASIRANDOM STRUCTURES; THEORETICAL RESULT; WATER SPLITTING; WURTZITES; ZN DOPING;

ALLOYS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; HYDROGEN PRODUCTION; PHOTOCATALYSIS; PHOTOCATALYSTS; SEMICONDUCTING SELENIUM COMPOUNDS; SOLID SOLUTIONS; ZINC; ZINC SULFIDE;

CADMIUM ALLOYS;

EID: 84868205710     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2012.09.003     Document Type: Article

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