Citation: ZHANG Jun-Jun, ZHANG Zhen-Hua, GUO Chao, LI Jie, DENG Xiao-Qing. Electronic Transport Properties for a Zigzag-Edged Triangular Graphene[J]. Acta Physico-Chimica Sinica, ;2012, 28(07): 1701-1706. doi: 10.3866/PKU.WHXB201204172 shu

Electronic Transport Properties for a Zigzag-Edged Triangular Graphene

1.
School of Physics and Electronic Science, Changsha University of Science and Technology, Changsha 410114, P. R. China

Received Date: 12 January 2012
Available Online: 17 April 2012
Fund Project: 国家自然科学基金(61071015, 61101009) (61071015, 61101009) 湖南省研究生科研创新项目(CX2011B367) (CX2011B367)

Based on the density functional theory and the non-equilibrium Green?s function method, the electronic transport properties of zigzag-edged triangular graphene were studied systematically. The results revealed that the current-voltage (I-V) characteristics and rectifying effects were closely related to the geometric size and the type of atoms terminated at the edges of triangular graphene. In the case of Hand S- terminated edges, a small triangular graphene had a large current but with a small rectifying ratio. Although the current increased, the rectifying behavior was lowered when H atoms at the edges of the structure were replaced by O atoms. Deeper analysis demonstrated that such a rectification was caused by the asymmetry in the spatial distribution of the frontier orbitals and an asymmetric movement on the molecular-level in triangular graphene under positive and negative biases. It is of great significance that our investigations develop a thorough understanding of the basic physical properties of a triangular graphene.
- Triangular graphene,
- Rectifying effect,
- Electronic transport property,
- Density functional theory,
- Non-equilibrium Green?s function method
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沈阳化工大学材料科学与工程学院沈阳 110142