Kinetic Monte Carlo simulations of the partial oxidation of methanol on oxygen-covered Cu(1 1 0)

Surface Science

Volumn 600, Issue 16, 2006, Pages 3258-3265

  Sendner, Christian ^a   Sakong, Sung ^b   Groß, Axel ^b  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b UNIVERSITY OF ULM   (Germany)

Author keywords

Ab initio quantum chemical methods and calculations; Alcohols; Catalysis; Copper; Models of surface kinetics; Models of surface reactions; Oxygen; Solid gas interfaces

Indexed keywords

CATALYSIS; METHANOL; MONTE CARLO METHODS; OXIDATION; OXYGEN; PROBABILITY DENSITY FUNCTION; SURFACE REACTIONS;

AB INITIO QUANTUM CHEMICAL METHODS; MODELS OF SURFACE KINETICS; MODELS OF SURFACE REACTIONS; SOLID-GAS INTERFACES;

COPPER;

EID: 33747774842     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2006.06.020     Document Type: Article

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