DFT+U investigation of propene oxidation over bismuth molybdate: Active sites, reaction intermediates, and the role of bismuth

Journal of Physical Chemistry C

Volumn 117, Issue 14, 2013, Pages 7123-7137

  Getsoian, Andrew ^a   Shapovalov, Vladimir ^a   Bell, Alexis T ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; ALLYL RADICALS; BISMUTH MOLYBDATES; CATALYST SURFACES; ELECTRONIC ENVIRONMENTS; HYDROGEN ABSTRACTION; LATTICE OXYGEN; PROPENE OXIDATION;

ABSTRACTING; ALDEHYDES; CATALYST ACTIVITY; DENSITY FUNCTIONAL THEORY; HERBICIDES; HYDROGEN; OXYGEN; PROPYLENE;

BISMUTH;

EID: 84876270958     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp400440p     Document Type: Article

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