Influence of organic functional groups on the electrical properties of carbon black: A theoretical study

Arunabhiram Chutia, Zhigang Zhu, Riadh Sahnoun, Hideyuki Tsuboi, Michihisa Koyama, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Akira Miyamoto

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3 Citations (Scopus)

Abstract

In the present investigation methods based on tight-binding approximation (TBA) and density functional theory (DFT) were employed to investigate the electronic properties of carbon black. The influence of organic functional groups (OFGs) such as -OH and -CHO in the basic structural units (BSUs) of carbon black was studied. It was seen that with the substitution of OFGs in the pristine graphene layers the energy gaps decreased. The changes in energy gaps associated with the topological association of OFOs were also investigated. The change of energy gaps associated with the topologioal association among the OFGs ana with the graphene moieties was seen to be marginal.

Original languageEnglish
Pages (from-to)3147-3151
Number of pages5
JournalJapanese journal of applied physics
Volume47
Issue number4 PART 2
DOIs
Publication statusPublished - 2008 Apr 25

Keywords

  • Basic structural units
  • Carbon black
  • Partial density of states
  • Tight-binding approximation

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)

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    Chutia, A., Zhu, Z., Sahnoun, R., Tsuboi, H., Koyama, M., Hatakeyama, N., Endou, A., Takaba, H., Kubo, M., Del Carpio, C. A., & Miyamoto, A. (2008). Influence of organic functional groups on the electrical properties of carbon black: A theoretical study. Japanese journal of applied physics, 47(4 PART 2), 3147-3151. https://doi.org/10.1143/JJAP.47.3147