Nonempirically Tuned Long-Range Corrected Density Functional Theory Study on Local and Charge-Transfer Excitation Energies in a Pentacene/C60 Model Complex

The local and charge-transfer excitation energies in a pentacene/C60 complex, which is prototypical of the minimal structural unit of the donor–acceptor heterojunction in pentacene/C60 organic cells, are evaluated using the time-dependent long-range corrected density functional theory (TD-LC-BLYP) m...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	The journal of physical chemistry letters 2011-07, Vol.2 (14), p.1725-1730
Hauptverfasser:	Minami, Takuya, Nakano, Masayoshi, Castet, Frédéric
Format:	Artikel
Sprache:	eng
Schlagworte:	Energy Conversion and Storage
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!