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 | |
| Publication status | Published - Apr 25 2008 |
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All Science Journal Classification (ASJC) codes
- Engineering(all)
- Physics and Astronomy(all)
Cite this
Influence of organic functional groups on the electrical properties of carbon black : A theoretical study. / Chutia, Arunabhiram; Zhu, Zhigang; Sahnoun, Riadh; Tsuboi, Hideyuki; Koyama, Michihisa; Hatekeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Del Carpio, Carlos A.; Miyamoto, Akira.
In: Japanese journal of applied physics, Vol. 47, No. 4 PART 2, 25.04.2008, p. 3147-3151.Research output: Contribution to journal › Article
}
TY - JOUR
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.
UR - http://www.scopus.com/inward/record.url?scp=54249134393&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=54249134393&partnerID=8YFLogxK
U2 - 10.1143/JJAP.47.3147
DO - 10.1143/JJAP.47.3147
M3 - Article
AN - SCOPUS:54249134393
VL - 47
SP - 3147
EP - 3151
JO - Japanese Journal of Applied Physics
JF - Japanese Journal of Applied Physics
SN - 0021-4922
IS - 4 PART 2
ER -