Theoretical study of the hydrogen relay dissociation of water molecules on Si(001) surfaces

Surface Science

Volumn 438, Issue 1-3, 1999, Pages 9-17

  Akagi, K ^a   Tsukada, M ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMISORPTION; DISSOCIATION; ELECTRON ENERGY LEVELS; ENERGY GAP; HYDROGEN; HYDROGEN BONDS; INTERFACES (MATERIALS); MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; SEMICONDUCTING SILICON; SURFACE PHENOMENA; WATER;

DISSOCIATION REACTIVITY; FIRST PRINCIPLES DENSITY FUNCTIONAL CALCULATIONS; FRONTIER ORBITAL THEORY; HYDROGEN RELAY DISSOCIATION; SURFACE CHEMICAL REACTION;

GAS ADSORPTION;

EID: 0033319287     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(99)00538-5     Document Type: Article

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