Surface structure of (101̄0) and (112̄0) surfaces of ZnO with density functional theory and atomistic simulation

Journal of Physical Chemistry B

Volumn 110, Issue 15, 2006, Pages 7985-7991

  Cooke, David J ^a   Marmier, Arnaud ^a   Parker, Stephen C ^a  

^a University of Bath Claverton Down   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; HYDROGEN; HYDROGEN BONDS; MOLECULES; MONOLAYERS; MORPHOLOGY; OXYGEN; PROBABILITY DENSITY FUNCTION; STOICHIOMETRY; SURFACE STRUCTURE; WATER;

ATOMISTIC SIMULATION; HYDROXYLATED SURFACE; POTENTIAL BASED METHODS; WATER MOLECULES;

ZINC OXIDE;

EID: 33646430303     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0564445     Document Type: Article

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