Density functional theory study of the effects of alloying additions on sulfur adsorption on nickel surfaces

Applied Surface Science

Volumn 264, Issue , 2013, Pages 320-328

  Malyi, Oleksandr I ^a   Chen, Zhong ^a   Kulish, Vadym V ^a   Bai, Kewu ^b   Wu, Ping ^c  

^a NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

^b INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

^c SINGAPORE UNIVERSITY OF TECHNOLOGY AND DESIGN   (Singapore)

Author keywords

Adsorption; Alloying additions; Density functional theory; Ni surfaces; S poisoning; Solid oxide fuel cells

Indexed keywords

ADSORPTION; ALLOYING; ANODES; NICKEL; SOLID OXIDE FUEL CELLS (SOFC); SULFUR COMPOUNDS; ZIRCONIA;

ALLOYING ADDITIONS; ANODE MATERIAL; DENSITY FUNCTIONAL THEORY STUDIES; NI SURFACE; NICKEL SURFACES; S ADSORPTIONS; SULFUR ADSORPTION;

DENSITY FUNCTIONAL THEORY;

EID: 84870479188     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2012.10.021     Document Type: Article

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