Electronic, energetic, and chemical effects of intrinsic defects and Fe-doping of CoAl2O4: A DFT+U study

Journal of Physical Chemistry C

Volumn 112, Issue 31, 2008, Pages 12044-12050

  Walsh, Aron ^a   Yan, Yanfa ^a   Al Jassim, M M ^a   Wei, Su Huai ^a  

^a NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL EFFECTS; COBALT ALUMINATE; FE-DOPING; INTRINSIC DEFECTS; INTRINSIC POINT DEFECTS; PHOTOELECTROCHEMICAL; PRODUCTION OF HYDROGEN; STRUCTURE THEORY;

COAL; COBALT; HYDROGEN; IRON; NONMETALS; POINT DEFECTS; TRANSITION METALS;

HYDROGEN PRODUCTION;

EID: 49649103125     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp711566k     Document Type: Article

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