Periodic density functional theory studies of vanadia-titania catalysts: Structure and stability of the oxidized monolayer

Journal of Physical Chemistry B

Volumn 108, Issue 22, 2004, Pages 7337-7343

  Vittadini, Andrea ^a   Selloni, Annabella ^b  

^a UNIVERSITY OF PADOVA   (Italy)

^b PRINCETON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; GENERALIZED GRADIENT APPROXIMATION (GGA); TRIMERS; VANADIA-TITANIA CATALYSTS;

CRYSTAL GROWTH; CRYSTAL ORIENTATION; MATHEMATICAL MODELS; MONOLAYERS; OXIDATION; PROBABILITY DENSITY FUNCTION; STRUCTURE (COMPOSITION); TITANIUM COMPOUNDS; VANADIUM COMPOUNDS;

CATALYSTS;

EID: 2942726334     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp037869z     Document Type: Article

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