Insights into the mechanisms of CO 2 methanation on Ni(111) surfaces by density functional theory

Applied Surface Science

Volumn 351, Issue , 2015, Pages 504-516

  Ren, Jun ^a   Guo, Hailong ^a   Yang, Jinzhou ^a   Qin, Zhifeng ^a   Lin, Jianying ^a   Li, Zhong ^a  

^a TAIYUAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Adsorption energies; CO 2 methanation; Density functional theory; Energy barriers; Ni(111) surface

Indexed keywords

CARBON DIOXIDE; ENERGY BARRIERS; HYDROGENATION; METHANATION; NICKEL COMPOUNDS;

ADSORPTION ENERGIES; DIFFERENT MECHANISMS; NI(111); OVERALL PROCESS; RATE DETERMINING STEP; REACTION ENERGY; REACTION SPECIES; STABLE ADSORPTION;

DENSITY FUNCTIONAL THEORY;

EID: 84964469202     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2015.05.173     Document Type: Article

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