Modulating the Electronic Properties of Multimeric Thiophene Oligomers by Utilizing Carbon Nanotube Confinement

We investigated the arrangement of methyl-terminated terthiophenes inside a nanotube by using density functional theory (DFT) including dispersion corrections. After DFT calculations were conducted, a variety of arrangements of the inner terthiophene chains was found, depending on host-tube diameter...

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Veröffentlicht in:	Journal of physical chemistry. C 2014-03, Vol.118 (10), p.5510-5522
Hauptverfasser:	Yumura, Takashi, Yamashita, Hiroki
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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