A more accurate kinetic monte carlo approach to a monodimensional surface reaction: The interaction of oxygen with the RuO2(110) surface

ACS Catalysis

Volumn 4, Issue 7, 2014, Pages 2328-2332

  Pogodin, Sergey ^a   López, Núria ^a  

^a INSTITUTE OF CHEMICAL RESEARCH OF CATALONIA ICIQ   (Spain)

Author keywords

computer simulations; density functional theory; kinetic Monte Carlo; oxidation; surface reactions

Indexed keywords

COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; KINETICS; NANOTECHNOLOGY; OXIDATION; OXYGEN; RUTHENIUM ALLOYS; TEMPERATURE PROGRAMMED DESORPTION;

ANISOTROPIC SYSTEM; ATOMISTIC SIMULATIONS; COMPLEX CHEMISTRY; KINETIC MONTE CARLO; MEAN FIELD APPROACH; OXYGEN INTERACTION; QUANTITATIVE AGREEMENT;

SURFACE REACTIONS;

EID: 84903761812     PISSN: 21555435     EISSN: None     Source Type: Journal    
DOI: 10.1021/cs500414p     Document Type: Article

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