Acrylonitrile on Cu(100): A density functional theoretical study of adsorption and electrochemical grafting

Journal of Chemical Physics

Volumn 105, Issue 8, 1996, Pages 3278-3289

  Geskin, V M ^a,c   Lazzaroni, R ^a,d   Mertens, M ^b   Jerome R ^b   Bredas J L ^a  

^a UNIVERSITY OF MONS   (Belgium)

^b UNIVERSITY OF LIÈGE   (Belgium)

^c EMANUEL INSTITUTE OF BIOCHEMICAL PHYSICS   (Russian Federation)

^d FNRS   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BINDING ENERGY; CHARGE TRANSFER; COPPER; ELECTRIC FIELDS; ELECTROCHEMICAL ELECTRODES; GRAFTING (CHEMICAL); NITROGEN COMPOUNDS; OPTIMIZATION; POLARIZATION; POLYACRYLONITRILES;

ACRYLONITRILE; DENSITY FUNCTIONAL THEORY; ELECTROCHEMICAL GRAFTING; HARTREE-FOCK CALCULATIONS; LOCAL SPIN DENSITY APPROXIMATIONS; METAL CLUSTERS;

ADSORPTION;

EID: 0030211549     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472807     Document Type: Article

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