Descriptors controlling the catalytic activity of metallic surfaces toward water splitting

Journal of Catalysis

Volumn 276, Issue 1, 2010, Pages 92-100

  Fajín, José L C ^a   Cordeiro, M Natália D S ^a   Illas, Francesc ^b   Gomes, José R B ^c  

^a UNIVERSITY OF PORTO   (Portugal)

^b UNIVERSITY OF BARCELONA   (Spain)

^c UNIVERSITY OF AVEIRO   (Portugal)

Author keywords

Br nsted Evans Polanyi relationship; Catalytic activity; Density functional theory; Periodic slab approach; Surfaces; Water gas shift reaction

Indexed keywords

ADSORPTION ENERGIES; ATOMIC OXYGEN; BIMETALLIC SYSTEMS; CATALYTIC ACTIVITY; DENSITY FUNCTIONALS; DESCRIPTORS; METALLIC SURFACE; NICKEL SURFACES; PERIODIC DENSITY FUNCTIONAL THEORY; PERIODIC SLAB APPROACH; RATE DETERMINING STEP; WATER DISSOCIATION; WATER GAS SHIFT REACTION; WATER GAS SHIFT REACTIONS; WATER SPLITTING;

ACTIVATION ENERGY; ADSORPTION; CATALYST ACTIVITY; CHEMICAL SHIFT; DISSOCIATION; ELECTROCHEMICAL SENSORS; METALLIC COMPOUNDS; OXYGEN; SURFACE MEASUREMENT;

DENSITY FUNCTIONAL THEORY;

EID: 78049331167     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2010.09.007     Document Type: Article

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