文档介绍：中国工程热物理学会传热传质学
学术会议论文编号:123091
电子对石墨烯热量输运的影响研究
王继芬,谢华清基金项目:国家自然科学基金项目(51176016),教育部新世纪优秀人才支持计划项目(NCET-10-0883)
(上海第二工业大学城市建设与环境工程学院,上海,201209)
(Tel:021-50217331, Email: ******@eed.)
摘要本文采用从头算法和格林函数法对比了相同长度的三种不同石墨烯纳米带(GNR)的结构、电子透射路径及外加偏压下的电流密度分布情况。在上述计算的基础上采用经验公式计算其由于电子输运引起的热量输运。结果表明,完整的GNR中低能电子的透射路径呈现均匀分布状态,而高能电子的透射则主要集中在GNR中部,在边缘分布较少。单边缺陷的GNR中电子的透射集中在无缺陷一边,双侧缺陷的则集中在中间部分。GNR中电流密度的分布与GNR的形状密切相关。同时表明,缺陷多的GNR中电子输运对热输运的贡献大。
关键词石墨烯;电子;缺陷;热量输运
中图分类号: TK123 文献标识码:A
STUDY ON EFFECT OF ELECTRON ON THE THERMAL TRANSPORT OF GRAPHENE
WANG Ji-Fen XIE Hua-Qing
( School of Urban Development and Environmental Engineering, Shanghai Second Polytechnic University, Shanghai 201209,China)
Abstract: This pared the micro-structure, transmission pathways and the current densities of graphene nanoribbons (GNP) using ab initio Methods and Green's Function Method. We calculated the properties of thermal transport caused by the electron transport using the classical function based on the results of the ab initio Methods. The results showed that structure has strong effect on the electron transmission pathway of GNP. In one side defect GNP, the electron transmits mainly through the defect-free side. It shows that the more defect in GNP, the more heat transfer by the electrons.
Key words: GNP; electron; defect; thermal transport
0 前言
石墨具有独特的片状结构,导热性能好、密度较小因此成为提高有机相变材料导热性能的良好添加剂。尤其是2004年And