A first-principles study of CO hydrogenation into methane on molybdenum carbides catalysts

Surface Science

Volumn 614, Issue , 2013, Pages 53-63

  Qi, Ke Zhen ^a   Wang, Gui Chang ^a,b   Zheng, Wen Jun ^a  

^a NANKAI UNIVERSITY   (China)

^b SHANXI DATONG UNIVERSITY   (China)

Author keywords

CO hydrogenation; Density functional calculations; Methane; Molybdenum carbide

Indexed keywords

ACTIVATION BARRIERS; CO HYDROGENATION; DENSITY FUNCTIONAL THEORY CALCULATIONS; ENERGY DIFFERENCES; EXPERIMENTAL OBSERVATION; FIRST-PRINCIPLES STUDY; MOLYBDENUM CARBIDE; RATE DETERMINING STEP;

ACTIVATION ENERGY; CALCULATIONS; CARBIDES; CATALYSTS; DENSITY FUNCTIONAL THEORY; METHANE; MOLYBDENUM;

HYDROGENATION;

EID: 84877727681     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2013.04.001     Document Type: Article

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