Adsorption of benzene on noble metal surfaces studied by density functional theory with van der waals correction

Journal of Nanoscience and Nanotechnology

Volumn 11, Issue 4, 2011, Pages 2836-2843

  Toyoda, Kenji ^a,b   Hamada, Ikutaro ^c   Yanagisawa, Susumu ^a   Morikawa, Yoshitada ^a  

^a OSAKA UNIVERSITY   (Japan)

^b PANASONIC CORPORATION   (Japan)

^c TOHOKU UNIVERSITY   (Japan)

Author keywords

Benzene; DFT; Interface dipole; Noble metal; Van der waals correction

Indexed keywords

ADSORPTION ENERGIES; BENZENE ADSORPTION; DENSITY FUNCTIONALS; DFT; INTERFACE DIPOLE; SEMI-EMPIRICAL DISPERSIONS; VAN DER WAALS CORRECTION; WORK FUNCTION CHANGE;

ADSORPTION; BENZENE; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; PRECIOUS METALS;

VAN DER WAALS FORCES;

BENZENE; INERT GAS; METAL;

ADSORPTION; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; SURFACE PROPERTY;

ADSORPTION; BENZENE; COMPUTER SIMULATION; METALS; MODELS, CHEMICAL; NOBLE GASES; SURFACE PROPERTIES;

EID: 80051915822     PISSN: 15334880     EISSN: 15334899     Source Type: Journal    
DOI: 10.1166/jnn.2011.3909     Document Type: Article

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