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

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Article number	193104
Pages (from-to)	1931041-1931044
Number of pages	4
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	66
Issue number	19
Publication status	Published - Nov 15 2002
Externally published	Yes

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

Cite this

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

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.",

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language = "English",

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AU - Aoki, Yuriko

AU - Tada, Tomofumi

AU - Orimoto, Yuuichi

PY - 2002/11/15

Y1 - 2002/11/15

N2 - 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.

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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JO - Physical Review B - Condensed Matter and Materials Physics

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M1 - 193104

ER -

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

Abstract

All Science Journal Classification (ASJC) codes

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