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 Hatekeyama; Akira Endou; Hiromitsu Takaba; Momoji Kubo; Carlos A. Del Carpio; Akira Miyamoto

doi:10.1143/JJAP.47.3147

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 Hatekeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Akira Miyamoto

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

4 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 language	English
Pages (from-to)	3147-3151
Number of pages	5
Journal	Japanese journal of applied physics
Volume	47
Issue number	4 PART 2
DOIs	https://doi.org/10.1143/JJAP.47.3147
Publication status	Published - Apr 25 2008

All Science Journal Classification (ASJC) codes

Engineering(all)
Physics and Astronomy(all)

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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.",

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T1 - Influence of organic functional groups on the electrical properties of carbon black

T2 - A theoretical study

AU - Chutia, Arunabhiram

AU - Zhu, Zhigang

AU - Sahnoun, Riadh

AU - Tsuboi, Hideyuki

AU - Koyama, Michihisa

AU - Hatekeyama, Nozomu

AU - Endou, Akira

AU - Takaba, Hiromitsu

AU - Kubo, Momoji

AU - Del Carpio, Carlos A.

AU - Miyamoto, Akira

PY - 2008/4/25

Y1 - 2008/4/25

N2 - 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.

AB - 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.

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

Abstract

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