Methane Oxidation over PdO(101) Revealed by First-Principles Kinetic Modeling

Journal of the American Chemical Society

Volumn 137, Issue 37, 2015, Pages 12035-12044

  Van Den Bossche, Maxime ^a   Grönbeck, Henrik ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CARBON; CARBON DIOXIDE; CATALYST ACTIVITY; KINETIC THEORY; KINETICS; METHANE;

APPARENT ACTIVATION ENERGY; CATALYTIC OXIDATION OF METHANE; COMPUTATIONAL DESIGN; EXTENSIVE EXPLORATIONS; HYBRID FUNCTIONALS; MEAN FIELD APPROXIMATION; MICROKINETIC MODELING; REACTION CONDITIONS;

CATALYTIC OXIDATION;

CARBON DIOXIDE; METHANE; OXIDE; OXYGEN; WATER;

ADSORPTION; ARTICLE; CATALYST; CHEMICAL MODEL; CHEMICAL STRUCTURE; CONJUGATION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ENERGY; OXIDATION KINETICS; REACTION ANALYSIS; SURFACE PROPERTY; TEMPERATURE DEPENDENCE; TURNOVER TIME;

EID: 84942337416     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/jacs.5b06069     Document Type: Article

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