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 journalArticle査読

    1 被引用数 (Scopus)

    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
    66
    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

    フィンガープリント 「Poly(para-phenylene) with the end structure of CH<sub>2</sub>-(C<sub>6</sub>H<sub>4</sub>)<sub>n</sub>-H provides nearly zero band gaps in long chains with n>6」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

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