非金属衬底上石墨烯纳米带的电子结构及输运性质调控研究

项目名称： 非金属衬底上石墨烯纳米带的电子结构及输运性质调控研究

项目编号： No.51302097

项目类型： 青年科学基金项目

立项/批准年度： 2014

项目学科： 一般工业技术

项目作者： 缪灵

作者单位： 华中科技大学

项目金额： 25万元

中文摘要： 有效调控石墨烯纳米带电子结构是石墨烯纳器件应用研究的基础，且石墨烯基纳器件须附着在一定支撑衬底上以保持其结构性能稳定。本项目结合目前衬底上石墨烯制备研究，以石墨烯纳米带与非金属衬底相互作用为研究切入点，通过引入不同的衬底修饰来牢固吸附石墨烯使其结构稳定，同时达到调控石墨烯纳米带电子能带和输运性质的目的。为此结合密度泛函、紧束缚方法和输运理论，分析石墨烯纳米带与非金属衬底的相互作用机理；从衬底与功能化石墨烯、不同衬底与石墨烯及衬底修饰与石墨烯等多方面，系统研究非金属衬底上石墨烯纳米带电子结构的调控方法；进一步设计具有良好电子特性的石墨烯基纳器件，其中重点研究金属性石墨烯纳米带导线和半导体性石墨烯纳米带构成的场效应器件。本课题研究将为非金属衬底上功能化石墨烯可控制备的实验研究提供理论支持，同时为石墨烯基纳器件的应用研究奠定良好基础。

中文关键词： 石墨烯纳米带；衬底；电子结构；输运性质；第一性原理

英文摘要： The effective modulation of electronic properties is very important for the applications of graphene nanoribbon based nano device, which should be attached at some substrate surface in order to maintain its performance and structural stability. This proposal suggests that the electronic properties of supported graphene nanoribbons could be tuned efficiently by the interaction between graphene and non-metal substrate, combined with the current researches of high-quality synthesis of graphene on substrates. The stable structure and controllable electronic band structure and transport property of graphene nanoribbons might be achieved by introducing appropriate decoration on non-metal substrate. So we need to analyze the mechanism of interaction of the non-metal substrate with supported graphene, by the calculations using the density functional theory, tight binding method and transport theory. The method of tuning the electronic properties of graphene nanoribbons will be studied extensively, from the modified non-metal substrate and the functionalized graphene nanoribbons. Furthermore, the good performance graphene based nano devices, including the conductive nano wire and the semiconductive field effect transistor, could be designed according to the preceding results. This research will provide the theoretical

英文关键词： Gaphene nanoribbon；substrate；electronic structure；transport property；first principles