期刊
APPLIED PHYSICS LETTERS
卷 100, 期 20, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4717116
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资金
- Polymer-Based Materials for Harvesting Solar Energy, an Energy Frontier Research Center
- U.S. Department of Energy (DOE), Office of Basic Energy Sciences [DE-SC0001087]
We report results of a systematic molecular-dynamics study on the vacancy-induced amorphization of single-layer graphene. An inserted vacancy concentration between 5% and 10% marks the onset of the amorphization transition. The computed amorphized configurations are in agreement with recent experimental observations. We find that the transition becomes less abrupt with vacancy concentration as the temperature increases and determine the surface roughness of the defective graphene as a function of vacancy concentration. We also find that the electronic density of states of vacancy-amorphized graphene is characterized by introduction of localized states near the Fermi level of perfect single-layer graphene. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4717116]
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