An LCAO-LDF study of the chemisorption of H2O and H2S on ZnO(0001) and ZnO(101̄0)

Surface Science

Volumn 377-379, Issue , 1997, Pages 587-591

  Casarin, Maurizio ^a   Maccato, Chiara ^a   Vittadini, Andrea ^b  

^a UNIVERSITY OF PADOVA   (Italy)

^b CNR   (Italy)

Author keywords

Chemisorption; Density functional calculations; Hydrogen sulphide; Water; Zinc oxide

Indexed keywords

ADSORPTION; CHEMISORPTION; CRYSTAL ORIENTATION; DISSOCIATION; HYDROGEN SULFIDE; MATHEMATICAL MODELS; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION; WATER;

LEWIS BATE SITES; LINEAR COMBINATION OF ATOMIC ORBITALS (LCAO); MOLECULAR CLUSTERS;

ZINC OXIDE;

EID: 0031123625     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(96)01452-5     Document Type: Article

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