First-principles study of methanol oxidation into methyl formate on rutile TiO2(110)

Journal of Physical Chemistry C

Volumn 118, Issue 34, 2014, Pages 19859-19868

  Lang, Xiufeng ^a,d   Wen, Bo ^a,c   Zhou, Chuanyao ^b   Ren, Zefeng ^c   Liu, Li Min ^a  

^a BEIJING COMPUTATIONAL SCIENCE RESEARCH CENTER   (China)

^b DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^c PEKING UNIVERSITY   (China)

^d HEBEI NORMAL UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; FORMALDEHYDE; METHANOL; OXIDATION; OXIDE MINERALS; REACTION INTERMEDIATES; REACTION KINETICS; SURFACE DEFECTS; TITANIUM; TITANIUM DIOXIDE; OXYGEN VACANCIES; REACTION RATES; SYNTHESIS (CHEMICAL);

COMPLETE OXIDATION; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; METHANOL DISSOCIATION; METHANOL OXIDATION; OXIDATION OF METHANOL; SEQUENTIAL REACTION; SURFACE OXYGEN VACANCIES;

SURFACE REACTIONS;

EID: 84906891308     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp505674g     Document Type: Article

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