Electronic structures of one-dimensional poly-fused selenophene radical cations: density functional theory study

Electronic structures of one-dimensional poly-fused selenophene radical cations: density functional theory study

Hybrid density functional theory (DFT) calculations have been carried out for neutral and radical cation species of a fused selenophene oligomer, denoted by Se(n), where n represents the number of selenophene rings in the oligomer, to elucidate the electronic structures at ground and low-lying excit...

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Bibliographic Details
Main Author: Hiroshi Kawabata et al
Format: Article
Language:English
Published: Taylor & Francis Group 2008-01-01
Series:Science and Technology of Advanced Materials
Subjects:
fused selenophene
conjugated oligomer
molecular design
DFT
PBC
Online Access:http://www.iop.org/EJ/abstract/1468-6996/9/2/024405

Internet

http://www.iop.org/EJ/abstract/1468-6996/9/2/024405

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