Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces

Theoretical Chemistry Accounts

Volumn 131, Issue 10, 2012, Pages 1-8

  Van Regemorter, Tanguy ^a   Guillaume, Maxime ^a   Sini, Gjergji ^a,b,c   Sears, John S ^a,b   Geskin, Victor ^a   Brédas, Jean Luc ^a,b   Beljonne, David ^a   Cornil, Jérôme ^a  

^a UNIVERSITY OF MONS   (Belgium)

^b GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^c UNIVERSITÉ DE CERGY PONTOISE   (France)

Author keywords

DFT; Interface dipole; Interfaces; Organic electronics; Partial charge transfer; TTF TCNQ

Indexed keywords

EID: 84866079880     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-012-1273-0     Document Type: Article

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