Multilayer adsorption of water at a rutile TiO2(110) surface: Towards a realistic modeling by molecular dynamics

Journal of Chemical Physics

Volumn 121, Issue 8, 2004, Pages 3722-3726

  Kornherr, Andreas ^a,b   Vogtenhuber, Doris ^a   Ruckenbauer, Matthias ^a   Podloucky, Raimund ^a   Zifferer, Gerhard ^a  

^a UNIVERSITY OF VIENNA   (Austria)

^b Ctr Competence Appl E   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; FULL POTENTIAL AUGMENTED PLANE WAVE METHOD; RUTILE SURFACES;

ADSORPTION; COMPUTER SIMULATION; IMPLANTS (SURGICAL); MATHEMATICAL MODELS; MULTILAYERS; PHOTODISSOCIATION; PROBABILITY DENSITY FUNCTION; STOICHIOMETRY; SUBSTRATES; THERMAL EFFECTS; THICKNESS MEASUREMENT; TISSUE; TITANIUM DIOXIDE;

MOLECULAR DYNAMICS;

EID: 4444268049     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1772752     Document Type: Article

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