Charging energy and barrier height of pentacene on Au(111): A local-orbital hybrid-functional density functional theory approach

Journal of Chemical Physics

Volumn 135, Issue 8, 2011, Pages

  Pieczyrak, B ^a   Abad, E ^a   Flores, F ^a   Ortega, J ^a  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION GEOMETRIES; AU(1 1 1 ); BARRIER HEIGHTS; CHARGING ENERGIES; DENSITY FUNCTIONAL THEORY CALCULATIONS; ENERGY LEVEL ALIGNMENT; EXPERIMENTAL DATA; HYBRID EXCHANGE; INDUCED DENSITY OF INTERFACE STATES MODELS; INTERFACE DIPOLE; METAL SURFACES; ORGANIC MATERIALS; PENTACENES; TRANSPORT ENERGY;

ADSORPTION; CHARGE TRANSFER; INTERFACES (MATERIALS); ION EXCHANGE; VAN DER WAALS FORCES;

DENSITY FUNCTIONAL THEORY;

EID: 80052409690     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3626522     Document Type: Article

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