DFT study on the reaction of NO oxidation on a stepped gold surface

Applied Catalysis A: General

Volumn 379, Issue 1-2, 2010, Pages 111-120

  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

Density functional theory; Gold; NO oxidation; Stepped surface

Indexed keywords

ATOMIC OXYGEN; CO-ADSORPTION; DFT CALCULATION; DFT STUDY; ENERGY COST; GOLD SURFACES; HOLLOW SITES; KINETIC PROFILES; LANGMUIR-HINSHELWOOD; LOW ENERGIES; NO OXIDATION; REACTION ROUTES; STABLE CONFIGURATION; STEPPED SURFACE; STEPPED SURFACES; SUPERCELL APPROACH;

ADSORPTION; ATOMS; DENSITY FUNCTIONAL THEORY; DESORPTION; GOLD; OXIDATION; SULFUR COMPOUNDS;

MOLECULAR OXYGEN;

EID: 77950834622     PISSN: 0926860X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apcata.2010.03.010     Document Type: Article

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