Poly(para-phenylene) with the end structure of CH2-(C6H4)n-H provides nearly zero band gaps in long chains with n>6

Yuriko Aoki; Tomofumi Tada; Yuuichi Orimoto

Poly(para-phenylene) with the end structure of CH₂-(C₆H₄)_n-H provides nearly zero band gaps in long chains with n>6

Yuriko Aoki, Tomofumi Tada, Yuuichi Orimoto

研究成果: Contribution to journal › Article › 査読

抄録

It was demonstrated from the molecular orbital theory that CH₂-(C₆H₄)_n- in which at least one H atom on the end of poly (para-phenylene) (PPP) is replaced by CH₂ group of the chain, provides nearly zero band gaps in the long chains with n>6. This behavior was explained by the band overlap leading to metallic characteristics from the perspective of the intermolecular-interaction between ethylene units in the oligomer.

本文言語	英語
論文番号	193104
ページ（範囲）	1931041-1931044
ページ数	4
ジャーナル	Physical Review B - Condensed Matter and Materials Physics
巻	66
号	19
出版ステータス	出版済み - 11 15 2002

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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引用スタイル

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abstract = "It was demonstrated from the molecular orbital theory that CH2-(C6H4)n- in which at least one H atom on the end of poly (para-phenylene) (PPP) is replaced by CH2 group of the chain, provides nearly zero band gaps in the long chains with n>6. This behavior was explained by the band overlap leading to metallic characteristics from the perspective of the intermolecular-interaction between ethylene units in the oligomer.",

author = "Yuriko Aoki and Tomofumi Tada and Yuuichi Orimoto",

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AB - It was demonstrated from the molecular orbital theory that CH2-(C6H4)n- in which at least one H atom on the end of poly (para-phenylene) (PPP) is replaced by CH2 group of the chain, provides nearly zero band gaps in the long chains with n>6. This behavior was explained by the band overlap leading to metallic characteristics from the perspective of the intermolecular-interaction between ethylene units in the oligomer.

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