First-principles study of CO oxidation on bismuth-promoted Pt(111) surfaces

Molecular Simulation

Volumn 37, Issue 8, 2011, Pages 648-658

  Kapur, Neeti ^a   Shan, Bin ^a   Hyun, Jangsuk ^a   Wang, Ligen ^a   Yang, Sang ^a   Nicholas, John B ^a   Cho, Kyeongjae ^b  

^a Nanostellar Inc   (United States)

^b The University of Texas at Dallas   (United States)

Author keywords

bismuth; catalysis; CO; DFT; oxidation

Indexed keywords

ADSORPTION ENERGIES; BI-DOPING; CATALYTIC REACTIONS; CO ADSORPTION; CO OXIDATION; CO POISONING; DENSITY FUNCTIONALS; DFT; ELEMENTARY REACTION; FIRST-PRINCIPLES STUDY; OXYGEN ATOM; PT(111); SURFACE AREA; VEHICLE EMISSION;

ADSORPTION; BISMUTH; CARBON DIOXIDE; CARBON MONOXIDE; CATALYSIS; CATALYST POISONING; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; EMISSION CONTROL; EXHAUST SYSTEMS (ENGINE); MOLECULAR OXYGEN; OXIDATION; PLATINUM;

CATALYTIC OXIDATION;

EID: 79960695083     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2010.543978     Document Type: Conference Paper

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