Different reactivities of TiO2 polymorphs: comparative DFT calculations of water and formic acid adsorption at anatase and brookite TiO2 surfaces

Journal of Physical Chemistry C

Volumn 112, Issue 17, 2008, Pages 6594-6596

  Li, Wei Kun ^a   Gong, Xue Qing ^a   Lu, Guanzhong ^a   Selloni, Annabella ^b  

^a RESEARCH INSTITUTE OF INDUSTRIAL CATALYSIS   (China)

^b PRINCETON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANATASE (TIO2); DENSITY FUNCTIONAL THEORY (DFT) CALCULATIONS; REACTIVITY (CHEMICAL);

PROBABILITY DENSITY FUNCTION; TITANIUM DIOXIDE; TITANIUM OXIDES;

DENSITY FUNCTIONAL THEORY;

EID: 47149097085     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp802335h     Document Type: Article

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