Theoretical understanding of enhanced photoelectrochemical catalytic activity of Sn-doped hematite: Anisotropic catalysis and effects of morin transition and Sn doping

Journal of Physical Chemistry C

Volumn 117, Issue 8, 2013, Pages 3779-3784

  Meng, Xiangying ^a,b   Qin, Gaowu ^a   Goddard III, William A ^b   Li, Song ^a   Pan, Haijun ^a   Wen, Xiaohong ^a   Qin, Yaokun ^a   Zuo, Liang ^a  

^a NORTHEASTERN UNIVERSITY   (China)

^b CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CATALYST ACTIVITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; HEMATITE;

EFFECTIVE ELECTRONS; ELECTRONIC CONDUCTIVITY; ELECTRONIC STRUCTURE CALCULATIONS; FIRST-PRINCIPLES CALCULATION; MORIN TRANSITIONS; PHOTOELECTROCHEMICALS; SPIN-FLOP TRANSITIONS; VALENCE-BAND MAXIMUMS;

PHOTOELECTROCHEMICAL CELLS;

EID: 84874610278     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp310740h     Document Type: Article

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