A quantum chemical study of nitric oxide reduction by ammonia (SCR reaction) on V2O5 catalyst surface

Catalysis Today

Volumn 118, Issue 3-4 SPEC. ISS., 2006, Pages 268-278

  Soyer, Sezen ^a   Uzun, Alper ^a   Senkan, Selim ^b   Onal, Isik ^a  

^a MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Density functional theory; DFT; NH3; NO reduction; Quantum chemical calculations; SCR; Selective catalytic reduction; V2O5

Indexed keywords

NO REDUCTION; QUANTUM CHEMICAL CALCULATIONS; SELECTIVE CATALYTIC REDUCTION (SCR);

AMMONIA; CATALYSTS; COMPUTATION THEORY; NITROGEN OXIDES; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; REDUCTION;

REACTION KINETICS;

EID: 33749631283     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cattod.2006.07.033     Document Type: Article

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