SO2 on TiO2(110) and Ti2O 2(1012) nonpolar surfaces: A DFT study

Journal of Physical Chemistry B

Volumn 109, Issue 25, 2005, Pages 12596-12602

  Casarin, Maurizio ^a   Ferrigato, Francesca ^a   Maccato, Chiara ^a   Vittadini, Andrea ^b  

^a UNIVERSITY OF PADOVA   (Italy)

^b CNR Consiglio Nazionale delle Ricerche   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; CHEMICAL BONDS; CRYSTAL LATTICES; OXIDATION; PROBABILITY DENSITY FUNCTION; SUBSTRATES; SULFUR DIOXIDE; TITANIUM COMPOUNDS;

DEFECT-FREE SURFACES; RUTILE PHASE; VARIANCE; VIRTUAL ORBITALS;

ADSORPTION;

EID: 22544444257     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp050314e     Document Type: Article

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