Adsorption and dissociation of H2O on Cu2O(100): A computational study

Journal of Natural Gas Chemistry

Volumn 20, Issue 2, 2011, Pages 155-161

  Li, Yun ^a   Yan, Lifen ^a   Wang, Guichang ^a  

^a NANKAI UNIVERSITY   (China)

Author keywords

density functional calculations; dipole corrections; metal oxide surfaces; slab mode; water dissociation

Indexed keywords

DENSITY-FUNCTIONAL CALCULATIONS; DIPOLE CORRECTIONS; METAL OXIDE SURFACES; SLAB MODE; WATER DISSOCIATION;

ACTIVATION ENERGY; ADSORPTION; DEHYDROGENATION; DISSOCIATION; METALLIC COMPOUNDS;

DENSITY FUNCTIONAL THEORY;

EID: 79953315209     PISSN: 10039953     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1003-9953(10)60162-4     Document Type: Article

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