Electronic structure of the pentacene-gold interface: A density-functional theory study

Organic Electronics

Volumn 10, Issue 8, 2009, Pages 1571-1578

  Li, Hong ^a   Duan, Yiqun ^a   Coropceanu, Veaceslav ^a   Bredas, Jean Luc ^a  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

Density functional theory calculations; Electronic coupling; Metal organic semiconductor interfaces; Pentacene; Self assembled monolayers

Indexed keywords

ADSORPTION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; GOLD; GOLD METALLURGY; MOLECULAR ORBITALS; MOLECULES; ORGANOMETALLICS; SELF ASSEMBLED MONOLAYERS; SEMICONDUCTING ORGANIC COMPOUNDS;

ADSORPTION ENERGIES; DENSITY FUNCTIONAL THEORY STUDIES; ELECTRON CHARGE DISTRIBUTION; ELECTRONIC COUPLING; HIGHEST OCCUPIED MOLECULAR ORBITAL; METAL-ORGANIC SEMICONDUCTOR INTERFACES; PENTACENES; STRUCTURAL AND ELECTRONIC PROPERTIES;

DENSITY FUNCTIONAL THEORY;

EID: 71849089819     PISSN: 15661199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.orgel.2009.09.003     Document Type: Article

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