Adsorption of water on the TiO 2 (rutile) (110) surface: A comparison of periodic and embedded cluster calculations

Journal of Physical Chemistry B

Volumn 108, Issue 23, 2004, Pages 7844-7853

  Bandura, A V ^a   Sykes, D G ^b   Shapovalov, V ^c   Troung, T N ^c   Kubicki, J D ^b   Evarestov, R A ^a  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

^c UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGY; CLUSTERS; ORBITALS;

COMPUTER SIMULATION; CONTINUUM MECHANICS; DISSOCIATION; HYDROGEN BONDS; PROBABILITY DENSITY FUNCTION; TITANIUM COMPOUNDS; VACUUM; WATER;

ADSORPTION;

EID: 3042687247     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp037141i     Document Type: Article

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