Molecular precursor-mediated methanol dissociation on Si(1 1 1)7 × 7: Ab initio study

Surface Science

Volumn 577, Issue 1, 2005, Pages 15-21

  Sonnet, Ph ^a,b   Stauffer, L ^a   Habar, M ^a   Minot, C ^b  

^a UNIVERSITÉ DE HAUTE ALSACE   (France)

^b LABORATOIRE DE CHIMIE THÉORIQUE   (France)

Author keywords

Alcohols; Chemisorption; Density functional calculations; Semiconducting surfaces

Indexed keywords

ADSORPTION; ALCOHOLS; CATALYSIS; CHEMISORPTION; DIFFUSION; DISSOCIATION; MATHEMATICAL MODELS; METHANOL; NANOSTRUCTURED MATERIALS; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL CALCULATIONS; KINETIC EFFECTS; MOLECULAR PRECURSORS; SEMICONDUCTING SURFACES;

SILICON;

EID: 13644284416     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2004.12.010     Document Type: Article

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