A DFT theoretical study of CH 4 dissociation on gold-alloyed Ni(111) surface

Journal of Natural Gas Chemistry

Volumn 20, Issue 6, 2011, Pages 611-617

  Liu, Hongyan ^a,b   Yan, Ruixia ^a   Zhang, Riguang ^a   Wang, Baojun ^a   Xie, Kechang ^a  

^a TAIYUAN UNIVERSITY OF TECHNOLOGY   (China)

^b SHANXI DATONG UNIVERSITY   (China)

Author keywords

adsorption; CH 4 dissociation; d band center; reaction barrier

Indexed keywords

ACTIVATION BARRIERS; ADSORPTION ENERGIES; D-BAND CENTER; NI SURFACE; RATE DETERMINING STEP; REACTION BARRIERS; THEORETICAL STUDY;

ADSORPTION; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; DISSOCIATION;

GOLD;

EID: 83455220908     PISSN: 10039953     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1003-9953(10)60252-6     Document Type: Article

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