Study of dissociation barriers of H2 on Ni (1 1 1) and Ni3 Fe (1 1 1)

Physica B: Condensed Matter

Volumn 393, Issue 1-2, 2007, Pages 223-227

  Zhang, A H ^a   Jing Zhu, ^a   Duan, W H ^a  

^a TSINGHUA UNIVERSITY   (China)

Author keywords

Br nsted Evans Polanyi relationship; Density functional calculation; Hydrogen dissociation barrier

Indexed keywords

CHEMISORPTION; CRYSTALLINE MATERIALS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; NICKEL COMPOUNDS;

HYDROGEN DISSOCIATION BARRIER; MINIMUM ENERGY PATHS (MEP);

HYDROGEN;

EID: 34047129355     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2006.12.083     Document Type: Article

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