Periodic trends of oxygen vacancy formation and C-H bond activation over transition metal-doped CeO 2 (1 1 1) surfaces

Journal of Catalysis

Volumn 293, Issue , 2012, Pages 103-115

  Krcha, Matthew D ^a   Mayernick, Adam D ^a   Janik, Michael J ^a  

^a The Pennsylvania State University   (United States)

Author keywords

C H bond; Ceria; DFT + U; Dopant; Methane; Oxygen vacancy; Transition metal

Indexed keywords

ACTIVATION BARRIERS; C-H BOND; CERIUM OXIDES; CH-BOND ACTIVATION; CHARGE ANALYSIS; DISSOCIATIVE ADSORPTION; DOPANT METALS; H-ABSTRACTION; HYDROCARBON CONVERSION; METAL-DOPED; METHANE ACTIVATION; METHANE ADSORPTION; METHANE CONVERSIONS; METHANE DISSOCIATIVE ADSORPTION; RE-OXIDATION; STRUCTURAL EFFECT; SURFACE OXYGEN VACANCIES; TRANSITION METAL DOPANTS; VACANCY FORMATION;

ACTIVATION ENERGY; ADSORPTION; CARBON DIOXIDE; CERIUM; CERIUM COMPOUNDS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; MANGANESE; METHANE; OXYGEN VACANCIES; PALLADIUM; TRANSITION METALS; VOLCANOES;

DOPING (ADDITIVES);

EID: 84864919111     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2012.06.010     Document Type: Article

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