正三角锯齿型石墨烯的电子输运特性

引用本文: 张俊俊, 张振华, 郭超, 李杰, 邓小清. 正三角锯齿型石墨烯的电子输运特性[J]. 物理化学学报, 2012, 28(07): 1701-1706. doi: 10.3866/PKU.WHXB201204172 shu

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

正三角锯齿型石墨烯的电子输运特性

基金项目:
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)

湖南省重点学科建设项目资助

摘要:

利用密度泛函理论和非平衡格林函数方法, 系统研究了正三角锯齿型石墨烯的电子输运特性. 研究表明: 正三角石墨烯的电流-电压(I-V)特性及整流效应与几何尺寸、边缘吸附原子的类型密切相关, 在其边缘吸附H原子和S原子的情况下, 小的正三角石墨烯有大的电流, 但有小的整流比; 改变边缘吸附原子的类型(用O原子替换H原子), 电流增大, 但其整流效应明显变低. 分析表明, 这种整流是由于正三角石墨烯前线轨道的空间分布不对称以及在正、负偏压下分子能级的非对称移动所致. 我们的研究对于认识正三角石墨烯的基本物性(电子结构及器件应用)有重要意义.

关键词:

English

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: 07 June 2012
Fund Project:
国家自然科学基金(61071015, 61101009)

湖南省研究生科研创新项目(CX2011B367)

湖南省重点学科建设项目资助

Abstract:

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.

Key words:

Triangular graphene
/ Rectifying effect
/ Electronic transport property
/ Density functional theory
/ Non-equilibrium Green?s function method

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1.
沈阳化工大学材料科学与工程学院沈阳 110142

正三角锯齿型石墨烯的电子输运特性

English

Electronic Transport Properties for a Zigzag-Edged Triangular Graphene

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通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

正三角锯齿型石墨烯的电子输运特性

English

Electronic Transport Properties for a Zigzag-Edged Triangular Graphene

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南： 你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

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