A DFT study the solvent effects of H 2 adsorption on Cu(h k l) surface

Applied Surface Science

Volumn 258, Issue 8, 2012, Pages 3364-3367

  Zuo, Zhijun ^a   Huang, Wei ^a   Han, Peide ^a  

^a TAIYUAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Adsorption; Cu; DFT; Solvent effects

Indexed keywords

ADSORPTION; BINDING ENERGY; COPPER; DENSITY FUNCTIONAL THEORY;

DFT STUDY; GASPHASE; H-BONDS; H2 MOLECULE; LIQUID PARAFFINS; SOLVENT EFFECTS; SOLVENT MODEL; STABLE STRUCTURES;

SOLVENTS;

EID: 84856223781     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2011.09.024     Document Type: Article

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