DFT study on the reaction of O2 dissociation catalyzed by gold surfaces doped with transition metal atoms

Applied Catalysis A: General

Volumn 458, Issue , 2013, Pages 90-102

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

^a UNIVERSITY OF PORTO   (Portugal)

^b UNIVERSITY OF AVEIRO   (Portugal)

Author keywords

Adsorption; Density functional theory; Gold; Heterogeneous catalysis; Oxidation; Surface doping

Indexed keywords

ADSORPTION ENERGIES; BIMETALLIC SURFACES; CO DISSOCIATIONS; CONCOMITANT DECREASE; OXIDATION REACTIONS; PERIODIC DENSITY FUNCTIONAL THEORY; SURFACE DOPING; TRANSITION METAL ATOMS;

ACTIVATION ENERGY; ADSORPTION; ATOMS; CARBON DIOXIDE; CATALYSIS; DENSITY FUNCTIONAL THEORY; GOLD; MOLECULAR OXYGEN; NICKEL; OXIDATION;

DISSOCIATION;

EID: 84877045215     PISSN: 0926860X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apcata.2013.03.023     Document Type: Article

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