Computational analysis of atomic C and S adsorption on Ni, Cu, and Ni-Cu SOFC anode surfaces

International Journal of Hydrogen Energy

Volumn 37, Issue 16, 2012, Pages 11941-11945

  Jia, Lichao ^a   Wang, Xin ^a   Hua, Bin ^a   Li, Wenlu ^a   Chi, Bo ^a   Pu, Jian ^a   Yuan, Songliu ^a   Jian, Li ^a  

^a HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Adsorption; Anode; Carbon; First principle; Solid oxide fuel cells; Sulfur

Indexed keywords

ADSORPTION ENERGIES; CARBON DEPOSITION; COMPUTATIONAL ANALYSIS; CU(1 1 1); DENSITY FUNCTIONAL THEORY CALCULATIONS; FIRST-PRINCIPLE; HOLLOW SITES; NI-CU ALLOY; NI-YSZ ANODE; SOFC ANODE; SULFUR POISONING;

ANODES; CARBON; DENSITY FUNCTIONAL THEORY; SOLID OXIDE FUEL CELLS (SOFC); SULFUR;

ADSORPTION;

EID: 84863782610     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2012.05.041     Document Type: Article

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