Influence of the OH groups of hydroxylated rutile (110) surface on the Lewis acidity: An investigation of CO adsorption by quantum-mechanical simulations

Molecular Physics

Volumn 106, Issue 21-23, 2008, Pages 2425-2430

  Scaranto, Jessica ^a   Giorgianni, Santi ^a  

^a CA' FOSCARI UNIVERSITY OF VENICE   (Italy)

Author keywords

Adsorption; Carbon monoxide; Density functional calculations; Hydroxylated rutile (110); Lewis acidity

Indexed keywords

ADSORPTION; HYDROXYLATION; OXIDE MINERALS; PORT TERMINALS; TITANIUM OXIDES;

BRIDGING GROUPS; CO STRETCHING FREQUENCIES; DENSITY FUNCTIONAL CALCULATIONS; ELECTROPHILICITY; HYDROXYLATED RUTILE (110); HYDROXYLATED SURFACES; INTERACTION ENERGIES; LEWIS ACID SITES; LEWIS ACIDITY; MECHANICAL SIMULATIONS; OH GROUPS; SUBSTRATE DISTANCES; TERMINAL GROUPS;

CARBON MONOXIDE;

EID: 57749105242     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970802506114     Document Type: Article

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