Water at a hydrophilic solid surface probed by Ab initio molecular dynamics: Inhomogeneous thin layers of dense fluid

Journal of the American Chemical Society

Volumn 127, Issue 18, 2005, Pages 6830-6835

  Cicero, Giancarlo ^a   Grossman, Jeffrey C ^a   Catellani, Alessandra ^b   Galli, Giulia ^a  

^a LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

^b IMEM CNR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

DIMERS; DISSOCIATION; HYDROGEN BONDS; HYDROPHILICITY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; SILICON CARBIDE; SUBSTRATES;

BIOCOMPATIBLE DEVICES; CUBIC SILICON CARBIDE; MICROSCOPIC MODELS; SOLID SURFACES;

PHASE INTERFACES;

BIOMATERIAL; DIMER; SILICON; WATER;

AB INITIO CALCULATION; ARTICLE; BIOCOMPATIBILITY; HYDROGEN BOND; HYDROPHILICITY; HYDROXYLATION; LIQUID; MOLECULAR DYNAMICS; SEMICONDUCTOR; SOLID STATE;

EID: 18744384002     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja042963u     Document Type: Article

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