Tungsten oxide clathrates for water oxidation: A first principles study

Chemistry of Materials

Volumn 24, Issue 21, 2012, Pages 4252-4260

  Ping, Yuan ^a   Li, Yan ^b   Gygi, Francois ^c   Galli, Giulia ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b BROOKHAVEN NATIONAL LABORATORY   (United States)

^c University of California   (United States)

Author keywords

band gap; tungsten oxide clathrates; water oxidation

Indexed keywords

AB INITIO CALCULATIONS; CLATHRATES; CLOSED SHELLS; CONDUCTION-BAND MINIMUM; EFFICIENT ABSORBERS; FIRST-PRINCIPLES STUDY; LARGE BAND; PHOTOANODE; RARE GAS ATOMS; SMALL CHARGES; STRUCTURAL CHANGE; TUNGSTEN OXIDE; VALENCE BAND EDGES; WATER OXIDATION;

CONDUCTION BANDS; ELECTRONIC PROPERTIES; OXIDES; SYNTHESIS (CHEMICAL); TUNGSTEN COMPOUNDS;

ENERGY GAP;

EID: 84869072695     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm3032225     Document Type: Article

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