Role of coverage and surface oxidation degree in the adsorption of acetone on TiO2 (110). A density functional study

Journal of Physical Chemistry C

Volumn 113, Issue 46, 2009, Pages 19973-19980

  Márquez, Antonio M ^a   Plata, José J ^a   Sanz, Javier Fdez ^a  

^a UNIVERSITY OF SEVILLE   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; ACETONE MOLECULES; DEGREE OF REDUCTION; DENSITY-FUNCTIONAL THEORY CALCULATIONS; EXPERIMENTAL DATA; HIGH TEMPERATURE; PARTIAL REDUCTION; PER UNIT; PLANE WAVE; PREFERENTIAL BINDING; PSEUDOPOTENTIALS; SUPERCELL MODEL; SURFACE COVERAGES; SURFACE MODELS; SURFACE OXIDATIONS; SYSTEMATIC STUDY; TIO; TPD SPECTRUM; VACANCY SITES;

ACETONE; ADSORPTION; BINDING ENERGY; BINDING SITES; DENSITY FUNCTIONAL THEORY; NUCLEAR ENERGY; OXYGEN; OXYGEN VACANCIES; POTENTIAL ENERGY; TEMPERATURE PROGRAMMED DESORPTION; VACANCIES; WAVE FUNCTIONS;

SURFACE PROPERTIES;

EID: 72149107864     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp906643h     Document Type: Article

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