Design of Acceptors with Suitable Frontier Molecular Orbitals to Match Donors via Substitutions on Perylene Diimide for Organic Solar Cells

A series of perylene diimide (PDI) derivatives have been investigated at the CAM-B3LYP/6-31G(d) and the TD-B3LYP/6-31+G(d,p) levels to design solar cell acceptors with high performance in areas such as suitable frontier molecular orbital (FMO) energies to match oligo(thienylenevinylene) derivatives...

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Veröffentlicht in:	International journal of molecular sciences 2016-05, Vol.17 (5), p.721-721
Hauptverfasser:	Lv, Xiaoli, Li, Zhuoxin, Li, Songyang, Luan, Guoyou, Liang, Dadong, Tang, Shanshan, Jin, Ruifa
Format:	Artikel
Sprache:	eng
Schlagworte:	Computer Simulation Imides - chemistry Perylene - analogs & derivatives Perylene - chemistry Solar Energy
Online-Zugang:	Volltext
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