Theoretical investigation on electrical and electronic properties of carbon materials

Arunabhiram Chutia, Zhigang Zhu, Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Parasuraman Selvam, Akira Miyamoto

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

The present work is focused on the theoretical investigation of the electronic and electrical properties of alkene chains with the general formula CnHn+2 (n = 2, 4, 8, 10, 14, and 16). Preliminary investigation showed that with increasing chain lengths of these systems the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMP) decreases and the systems approach semiconducting behavior. Further, a novel methodology based on tight-binding quantum mechanics called Colors, which was developed in our laboratory, was used for the first time to theoretically estimate the electrical conductivity of these molecular systems. A study on doped C8H10 alkene chains was also carried out and it was observed that the electrical conductivity of the doped C8H10 system increased by a factor of ∼109 times as compared with the undoped system.

Original languageEnglish
Pages (from-to)2650-2654
Number of pages5
JournalJapanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
Volume46
Issue number4 B
DOIs
Publication statusPublished - Apr 24 2007

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Molecular orbitals
Electronic properties
Olefins
Electric properties
electrical properties
alkenes
Carbon
Quantum theory
carbon
molecular orbitals
Chain length
electronics
electrical resistivity
Energy gap
Color
quantum mechanics
methodology
color
estimates
Electric Conductivity

All Science Journal Classification (ASJC) codes

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

Cite this

Theoretical investigation on electrical and electronic properties of carbon materials. / Chutia, Arunabhiram; Zhu, Zhigang; Tsuboi, Hideyuki; Koyama, Michihisa; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Del Carpio, Carlos A.; Selvam, Parasuraman; Miyamoto, Akira.

In: Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers, Vol. 46, No. 4 B, 24.04.2007, p. 2650-2654.

Research output: Contribution to journalArticle

Chutia, A, Zhu, Z, Tsuboi, H, Koyama, M, Endou, A, Takaba, H, Kubo, M, Del Carpio, CA, Selvam, P & Miyamoto, A 2007, 'Theoretical investigation on electrical and electronic properties of carbon materials', Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers, vol. 46, no. 4 B, pp. 2650-2654. https://doi.org/10.1143/JJAP.46.2650
Chutia, Arunabhiram ; Zhu, Zhigang ; Tsuboi, Hideyuki ; Koyama, Michihisa ; Endou, Akira ; Takaba, Hiromitsu ; Kubo, Momoji ; Del Carpio, Carlos A. ; Selvam, Parasuraman ; Miyamoto, Akira. / Theoretical investigation on electrical and electronic properties of carbon materials. In: Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers. 2007 ; Vol. 46, No. 4 B. pp. 2650-2654.
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