Molecular dynamics simulations of Na deposition on the TiO2(110) surface

Surface Science

Volumn 409, Issue 1, 1998, Pages 92-100

  San Miguel, M A ^a   Calzado, C J ^a   Sanz, Javier Fdez ^a  

^a UNIVERSITY OF SEVILLE   (Spain)

Author keywords

Ab initio quantum chemical methods and calculations; Adatoms; Alkali metals; Models of surface chemical reactions; Molecular dynamics; Surface structure; Titanium oxide

Indexed keywords

ADSORPTION; COMPUTATIONAL METHODS; COMPUTER SIMULATION; CRYSTAL ATOMIC STRUCTURE; CRYSTAL ORIENTATION; DEPOSITION; MOLECULAR DYNAMICS; OXYGEN; QUANTUM THEORY; SODIUM; SURFACE STRUCTURE;

ADATOMS; HARTREE FOCK METHOD; QUANTUM CHEMICAL METHODS;

TITANIUM DIOXIDE;

EID: 0032091698     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(98)00245-3     Document Type: Article

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