Computational chemistry study of solid and aqueous solution interface

Applied Surface Science

Volumn 244, Issue 1-4, 2005, Pages 640-643

  Mart, Ugur ^a   Jung, Changho ^a   Koyama, Michihisa ^a   Kubo, Momoji ^a,b   Miyamoto, Akira ^a  

^a TOHOKU UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Density functional theory; Hydration; Molecular dynamics; Monovalent metal ion; Oxides; Solid aqueous solution interface

Indexed keywords

ADSORPTION; COMPUTATIONAL METHODS; DISSOCIATION; HYDRATION; HYDROXYLATION; IONIC CONDUCTION; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; SOLUTIONS;

COMPUTATIONAL CHEMISTRY; IONIC SIZES; MONOVALENT METAL ION; SOLID-AQUEOUS SOLUTION INTERFACE;

PHASE INTERFACES;

EID: 15844423876     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2004.09.169     Document Type: Conference Paper

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