Modeling the interaction of hydrogen with silicon surfaces

Surface Science

Volumn 397, Issue 1-3, 1998, Pages 225-236

  Kohen, Daniela ^a   Tully, John C ^a,b   Stillinger, Frank H ^a  

^a LUCENT TECHNOLOGIES   (United States)

^b YALE UNIVERSITY   (United States)

Author keywords

Ab initio quantum chemical methods and calculations; Catalysis; Chemisorption: Density functional calculations; Hydrogen; Molecular dynamics simulations; Semiconducting surfaces; Silicon

Indexed keywords

CATALYSIS; CHEMISORPTION; HYDROGEN; HYDROGENATION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; OPTIMIZATION; REACTION KINETICS; SURFACE PHENOMENA;

DENSITY FUNCTIONAL THEORY;

SEMICONDUCTING SILICON;

EID: 0031990793     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(97)00739-5     Document Type: Article

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