Theoretical study on the Si-doped graphene as an efficient metal-free catalyst for CO oxidation

Applied Surface Science

Volumn 308, Issue , 2014, Pages 402-407

  Tang, Yanan ^a   Liu, Zhiyong ^b   Dai, Xianqi ^a,b   Yang, Zongxian ^b   Chen, Weiguang ^a   Ma, Dongwei ^c   Lu, Zhansheng ^b  

^a ZHENGZHOU NORMAL UNIVERSITY   (China)

^b HENAN NORMAL UNIVERSITY   (China)

^c ANYANG NORMAL UNIVERSITY   (China)

Author keywords

CO oxidation; Metal free catalyst; Si graphene; The first principle methods

Indexed keywords

ADSORPTION; ATOMS; CARBON MONOXIDE; CATALYST ACTIVITY; CATALYTIC OXIDATION; CRYSTAL ATOMIC STRUCTURE; DOPING (ADDITIVES); ELECTRONIC STRUCTURE; ENERGY BARRIERS; MOLECULES; OXIDATION; PRECIOUS METALS; SILICON; SILICON COMPOUNDS;

ADSORPTION ENERGIES; CATALYTIC PROPERTIES; CHARGE REDISTRIBUTION; CO OXIDATION; FIRST PRINCIPLE METHOD; METAL-FREE CATALYSTS; THEORETICAL STUDY; TWO-STEP PROCESS;

GRAPHENE;

EID: 84901695280     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2014.04.189     Document Type: Article

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