石墨烯纳米结构中的热控制以及热电性质的研究

项目名称： 石墨烯纳米结构中的热控制以及热电性质的研究

项目编号： No.11204180

项目类型： 青年科学基金项目

立项/批准年度： 2013

项目学科： 物理学I

项目作者： 鄢永红

作者单位： 绍兴文理学院

项目金额： 25万元

中文摘要： 由于碳纳米材料在纳微尺度上的热管理（thermal management）和热电能量转换方面具有广泛的应用前景，其热输运与热电性质的研究逐渐成为当前凝聚态物理和材料科学的热点。本项目拟采用非平衡Green函数与分子动力学方法研究石墨烯纳米结构中的热输运和热电性质。主要内容为：（1）研究石墨烯量子点、量子点阵列限制结构中的热输运性质和热电性质，探讨限制结构的尺寸、形状对输运性质的影响，探究热电ZT值随结构及化学势的变化关系；（2）研究准一维的石墨烯网孔结构中孔的尺寸、排列方式对声子谱的改变以及引起的热导与电输运性质的变化，研究这类结构中ZT值的优化问题；（3）研究多层石墨烯材料中的热输运性质以及ZT值的优化方式。本项目的研究，旨在获得调控石墨烯纳米材料热导率的方式和提高其热电ZT值的途径，为石墨烯纳米材料在纳微电子学中的热管理与热电能量转化方面的应用提供理论依据。

中文关键词： 热导率；热电性质；低维材料；石墨烯；

英文摘要： Thermal transport and thermoelectric properties of carbon nano-materials have become a hot topic in condensed matter physics and material sciences, due to its potential application in thermal management and thermoelectric energy conversion. This project is thus devoted to studying thermal transport and thermoelectric properties in graphene nano-structures based on the nonequilibrium Green's function and molecular dynamics methods. In this project, (1) we will first study thermoelectric properties in graphene quantum confined structures such as quantum dots (QDs) and QD arrays, and investigate the dependence of transport properties on the structure and also the dependence of thermoelectric figure of merit (ZT) on the chemical potential. (2) Next, we will consider the thermoelectric properties in one-dimensional graphene anti-dot lattices, exploring the change of the phonon spectrum and heat conductance with the anti-dot size and pattern. We will also study the optimization of ZT. (3) Finally, we will investigate the thermoelectric properties and thermal transport in few-layer graphene. Through these studies, we expect to find the effective ways to control heat transport and to improve the thermoelectric figure of merit in graphene nano-materials, and thus to shed light on the application of graphene in heat manag

英文关键词： thermal conductivity；thermoelectric properties；low dimensional materials；graphene；