Periodic DFT study on mechanism of selective catalytic reduction of NO via NH3 and O2 over the V2O5 (0 0 1) surface: Competitive sites and pathways

Journal of Catalysis

Volumn 305, Issue , 2013, Pages 67-75

  Yao, Huichao ^a,b   Chen, Yu ^a,b   Zhao, Zhen ^a,b   Wei, Yuechang ^a,b   Liu, Zhichang ^a,b   Zhai, Dong ^a,b   Liu, Baijun ^a,b   Xu, Chunming ^a,b  

^a CHINA UNIVERSITY OF PETROLEUM   (China)

^b CHINA UNIVERSITY OF PETROLEUM   (China)

Author keywords

DFT; Nitrogen oxide; Reaction mechanism; Selective catalytic reduction; Vanadium pentoxide

Indexed keywords

DFT; ELEY-RIDEAL MECHANISM; EXPERIMENTAL OBSERVATION; HIGH ACTIVATION ENERGY; REACTION MECHANISM; SELECTIVE CATALYTIC REDUCTION OF NO; THEORETICAL INVESTIGATIONS; VANADIUM PENTOXIDE;

DESIGN FOR TESTABILITY; NITROGEN OXIDES; VANADIUM COMPOUNDS;

SELECTIVE CATALYTIC REDUCTION;

EID: 84878419575     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2013.04.016     Document Type: Article

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