Comparative chemistries of CO and NO oxidation over RuO 2(110): Insights from first-principles thermodynamics and kinetics

Molecular Simulation

Volumn 38, Issue 8-9, 2012, Pages 615-630

  Wang, Hangyao ^a,b   Schneider, William F ^b,c  

^a DOW CHEMICAL COMPANY   (United States)

^b University of Notre Dame   (United States)

^c UNIVERSITY OF NOTRE DAME   (United States)

Author keywords

adsorption; CO oxidation; microkinetic; NO oxidation; RuO 2

Indexed keywords

ADSORBERS; BASE METALS; CO ADSORPTION; CO AND NO; CO OXIDATION; CONTROL ACTIVITIES; DENSITY FUNCTIONALS; HIGH TEMPERATURE; MEAN-FIELD; METAL OXIDES; MICROKINETIC; MICROKINETIC MODELS; NO OXIDATION; OXIDATION CHEMISTRY; PLANE WAVE; RUO 2; SMALL MOLECULES; SUPER CELL; SURFACE COVERAGES; SURFACE SITES; SURFACE SPECIES; THERMODYNAMICS AND KINETICS;

ADSORPTION; CARBON DIOXIDE; DENSITY FUNCTIONAL THEORY; METALLIC COMPOUNDS; PHASE DIAGRAMS; RUTHENIUM ALLOYS; RUTHENIUM COMPOUNDS; SURFACE REACTIONS;

OXIDATION;

EID: 84863637846     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2012.671521     Document Type: Review

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