First-Principles study of adsorption of dimethyl methylphosphonate on the TiO2 anatase (001) surface: Formation of a stable titanyl (Ti=O) site

Journal of Physical Chemistry C

Volumn 115, Issue 14, 2011, Pages 6741-6747

  Bermudez, V M ^a  

^a NAVAL RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; ADSORPTION SITE; BRIDGE BONDS; CLEAN SURFACES; CO-ORDINATIVELY UNSATURATED; DATIVE BONDS; DIMETHYL METHYLPHOSPHONATE; DISSOCIATIVE ADSORPTION; FIRST-PRINCIPLES STUDY; MOLECULAR ADSORPTION; TIO;

CALCULATIONS; TITANIUM DIOXIDE;

ADSORPTION;

EID: 79953743952     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp200009s     Document Type: Article

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