Interfacial electronic structure of the dipolar vanadyl naphthalocyanine on Au(111): "Push-Back" vs dipolar effects

Journal of Physical Chemistry C

Volumn 115, Issue 43, 2011, Pages 21128-21138

  Terentjevs, Aleksandrs ^a   Steele, Mary P ^b   Blumenfeld, Michael L ^b   Ilyas, Nahid ^b   Kelly, Leah L ^b   Fabiano, Eduardo ^a   Monti, Oliver L A ^b   Della Sala, Fabio ^a,c  

^a NATIONAL NANOTECHNOLOGY LABORATORY   (Italy)

^b University of Arizona   (United States)

^c ISTITUTO ITALIANO DI TECNOLOGIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AU(1 1 1 ); BOND FORMATION; COMPUTATIONAL COSTS; DFT CALCULATION; DIPOLAR EFFECTS; DISPERSION CORRECTION; DISPERSION INTERACTION; EXPERIMENTAL APPROACHES; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; GOLD SURFACES; INTERFACIAL ELECTRONIC STRUCTURE; LARGE SYSTEM; MOLECULAR DEFORMATIONS; MOLECULAR DIPOLE MOMENT; NAPHTHALOCYANINES; ORGANIC SEMICONDUCTOR; OUT-OF-PLANE; VANADYL;

ADSORPTION; CALCULATIONS; CHEMICAL BONDS; DISPERSIONS; ELECTRIC DIPOLE MOMENTS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; MONOLAYERS; PHOTOELECTRON SPECTROSCOPY; ULTRAVIOLET PHOTOELECTRON SPECTROSCOPY; VANADIUM COMPOUNDS;

DENSITY FUNCTIONAL THEORY;

EID: 80055046420     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp204720a     Document Type: Article

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