Theoretical model of oxidative adsorption of water on a highly reduced reconstructed oxide surface

Journal of Physical Chemistry Letters

Volumn 5, Issue 19, 2014, Pages 3408-3414

  Koocher, Nathan Z ^a   Martirez, John Mark P ^a   Rappe, Andrew M ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

barium titanate; hydrogen evolution; metal hydride; surface oxidation; surface reconstruction; water adsorption; water reduction

Indexed keywords

ADATOMS; ADSORPTION; BARIUM TITANATE; DENSITY FUNCTIONAL THEORY; HYDRIDES; OXIDE MINERALS; SURFACE RECONSTRUCTION; TITANIUM DIOXIDE;

HYDROGEN EVOLUTION; METAL HYDRIDES; SURFACE OXIDATIONS; WATER ADSORPTION; WATER REDUCTION;

TITANIUM;

EID: 84907856593     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz501635f     Document Type: Article

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