共价键结合的石墨烯和碳纳米管三维复合材料的载流子迁移率研究

许南鑫; 李典; 高进伟; 赵红波

doi:10.6054/j.jscnun.2015.04.002

共价键结合的石墨烯和碳纳米管三维复合材料的载流子迁移率研究

许南鑫¹,
李典^1,2,
高进伟³,
赵红波^1,4, ,

1.
（1.华南师范大学物理与电信工程学院,广东省量子调控工程与材料重点实验室,广州 510006;
2.
2.香港大学物理系,香港 999077;
3.
3.华南师范大学华南先进光电子研究院,先进材料研究所,广州 510006;4.亚利桑那大学航空与机械工程系,亚利桑那 85721,美国）

基金项目:

国家自然科学基金项目(11074077)

详细信息

作者简介:
赵红波，教授，Email:zhaohb@scnu.edu.cn.

通讯作者:
赵红波，教授，Email:zhaohb@scnu.edu.cn.

中图分类号: O481.1
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出版历程
- 收稿日期: 2015-03-05
- 刊出日期: 2015-09-24

The Carrier Mobility Study of Graphene Covalently Bonded with Single-Walled Carbon Nanotubes

1.
(1.Laboratory of Quantum Engineering and Quantum Materials,School of Physics and Telecommunication Engineering,South China Normal University,Guangzhou 510006,China;
2.
2.Department of Physics,The University of Hong Kong,Hong Kong 999077〖KG-0.7mm〗,China;
3.
3.Institute of Advanced Materials,South China Academy of Advanced Optoelectronics,South China Normal University,Guangzhou 510006,China;

摘要

摘要: 应用密度泛函理论对共价键结合的多孔石墨烯和单壁碳纳米管三维复合材料进行结构优化和能带计算，确定石墨烯和碳纳米管以共价键的形式结合.基于第一性原理计算出石墨烯二维平面上的弹性常数和形变势常数，得到石墨烯电子和空穴迁移率约为104 cm2/(Vs), 比完整的单层石墨烯低1个数量级.该模型可以扩展到共价键结合的碳元素三维空间结构，在未来的有机电子学领域具有广阔的发展前景.
- 石墨烯 /
- 单壁碳纳米管 /
- 载流子迁移率 /
- 形变势理论 /
- 密度泛函理论 /
- 复合材料
Abstract: Geometry optimization and calculation about the band structure of the three-dimensional composite, consisting of porous single layer graphene covalently bonded with single-walled carbon nanotubes, are studied in this paper. The connections between graphene and carbon nanotubes are verified to be covalent bond. The elastic constant and deformation potential constant of single-layer graphene-nanotube composite are calculated in deformation potential theory. Its noted that the carrier mobility is about 104 cm2/(Vs) for both electrons and holes. It is about one order of magnitude lower than that of graphene. This composite structure has great future in organic electronics because of its possible extension to three-dimension.
- graphene /
- single-walled carbon nanotubes /
- carrier mobility /
- deformation potential theory /
- density functional theory /
- composite