Atomic hydrogen activated TiO 2 nanocluster: DFT calculations

Journal of Physical Chemistry C

Volumn 116, Issue 34, 2012, Pages 18139-18145

  Andreev, Alexey S ^a   Kuznetsov, Vyacheslav N ^a   Chizhov, Yuri V ^a  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC HYDROGEN; COMPUTATIONAL APPROACH; DEFECT CENTERS; DEFECT SPECIES; DFT CALCULATION; ENERGETIC BARRIERS; H-CLUSTER; ISOLATED CLUSTER; LOCAL SURFACES; LOW-ACTIVATION ENERGY; MOLECULAR CLUSTERS; MOLECULAR HYDROGEN; NANOSCALED; OH GROUP; OXYGEN ATOM; PARAMAGNETIC SPECIES; QUANTITATIVE DESCRIPTION; TI ATOMS; TIO;

ACTIVATION ENERGY; ADSORPTION; DENSITY FUNCTIONAL THEORY; HYDROGEN; NANOPARTICLES; OXYGEN; PARAMAGNETISM; TITANIUM DIOXIDE;

ATOMS;

EID: 84865780011     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp3009805     Document Type: Article

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