Chutia, A. and Sahnoun, Riadh and Deka, R. C. and Zhu, Z. and Tsuboi, H. and Takaba, H. and Miyamoto, A. (2011) Local electronic and electrical properties of functionalized graphene nano flakes. Physica B: Condensed Matter, 406 (9). pp. 1665-1672. ISSN 0921-4526
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Official URL: http://dx.doi.org/10.1016/j.physb.2011.01.012
Abstract
Based on experimental findings models of amorphous graphene related carbon materials were generated using graphene nano flakes. On the optimized structures detailed local electronic properties were investigated using density functional theory. The electrical conductivities of all these models were also estimated using an in-house program based on tight-binding method. The calculated electrical conductivity values of all the models agreed well with the trend of calculated energy gap and graphitic character.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | amorphous graphene related carbon materials, density functional theory, tight-binding method, electrical conductivity, graphitic character |
| Subjects: | Q Science |
| Divisions: | Science |
| ID Code: | 29238 |
| Deposited By: | Yanti Mohd Shah |
| Deposited On: | 28 Feb 2013 00:08 |
| Last Modified: | 25 Mar 2019 07:58 |
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