Theoretical Calculation of Shrinking and Stretching in Bond Structure of Monolayer Graphite Flake via Hole Doping Treatment

Details Theoretical Calculation of Shrinking and Stretching in Bond Structure of Monolayer Graphite Flake via Hole Doping Treatment Theoretical Calculation of Shrinking and Stretching in Bond Structure of Monolayer Graphite Flake via Hole Doping Treatment

2010-04-23

arxiv.org/abs/1004.4035v1

Journal of Computational and Theoretical Nanoscience, Volume 8, 31-37 (2011)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

23 pages, to be published in Journal of Computational and Theoretical Nanoscience

Scientific paper

10.1166/jctn.2011.1654

This paper deals with the physics of monolayer graphite, with a particular focus on the electronics and structural properties. In contrast to the previous electronic band structure of doped single-walled carbon nanotube calculation, where just a ballistic graphite plate is considered, here for the carbon bonds length alteration is calculated in terms of hole doping. It is found that doped holes play crucial roles on the bond structure compared to that obtained no doping configurations and it changes as hole doping increasing.

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