Hybrid functionals study of band bowing, band edges and electronic structures of Cd1- xZnxS solid solution

Journal of Physical Chemistry C

Volumn 115, Issue 40, 2011, Pages 19741-19748

  Wu, Jian Chun ^a   Zheng, Jianwei ^b   Zacherl, Chelsey L ^c   Wu, Ping ^b   Liu, Zi Kui ^c   Xu, Rong ^a  

^a Nanyang Technological University   (Singapore)

^b INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

^c PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BAND EDGE; CDS; CONCENTRATION RANGES; CONDUCTION-BAND MINIMUM; FORMATION ENTHALPY; HYBRID DFT; HYBRID FUNCTIONALS; PHOTOCATALYTIC ACTIVITIES; PHOTOCORROSION; PHOTOGENERATED HOLES; REDOX POTENTIALS; SPECIAL QUASIRANDOM STRUCTURES; VOLUME DEFORMATION; WATER SPLITTING; WURTZITES; ZINC-BLENDE; ZN CONTENT;

CADMIUM COMPOUNDS; CADMIUM SULFIDE; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LATTICE CONSTANTS; LEACHING; PHOTOCATALYSIS; PHOTOCATALYSTS; REDOX REACTIONS; SOLID SOLUTIONS; ZINC SULFIDE;

ZINC;

EID: 80053907559     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp204799q     Document Type: Article

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