Electrical Conductance and Diode-Like Behavior of Substituted Azulene

研究成果: Contribution to journalArticle査読

9 被引用数 (Scopus)

抄録

Nonequilibrium Green's function approach combined with density functional theory has been used to study electrical conductance of amino and cyano substituted azulene. The I-V curves show an increase in conductance when the amino groups exist at the 1,3 centers of the azulene rings and the cyano groups at the 4,8-postion. A modest current rectification ratio of about 2 was reported for substituted 2,6-azulene dithiolate, while the value increases to 3-5 when bridging azulene through the 2,7-position based on the presence or absence of substituents and their positions. Diode-like behavior could be noticed in 1,3-azulene dithiolate when it is substituted with electron donors such as amino group at carbons 4 and 8 or when replacing the 2,4,6,8-CH groups by nitrogen atoms.

本文言語英語
ページ(範囲)2504-2511
ページ数8
ジャーナルJournal of Physical Chemistry C
121
5
DOI
出版ステータス出版済み - 2 9 2017

All Science Journal Classification (ASJC) codes

  • 電子材料、光学材料、および磁性材料
  • エネルギー(全般)
  • 物理化学および理論化学
  • 表面、皮膜および薄膜

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