氧化石墨烯的电子结构和缺陷演化对光电性能影响机理研究

项目名称： 氧化石墨烯的电子结构和缺陷演化对光电性能影响机理研究

项目编号： No.U1204601

项目类型： 联合基金项目

立项/批准年度： 2013

项目学科： 电子学与信息系统

项目作者： 李子炯

作者单位： 郑州轻工业学院

项目金额： 30万元

中文摘要： 石墨烯因其极高的载流子迁移率和特殊的电荷输运特性，成为新一代高性能场效应晶体管器件的理想材料。作为氧化还原法制备石墨烯的产物，氧化石墨烯通常被看作是一种缺陷态的材料，正因为其固有缺陷和非均一的电子结构，为通过化学途径来调控其光电性能提供了可能，但其缺陷效应对光电特性的影响机理还不清楚。本项目在前期制备高电导率氧化石墨烯的基础上，拟采用正电子湮没和原位拉曼光谱等技术，系统研究：（1）在氧化石墨烯还原过程中，材料的电子结构和缺陷演化对导电性和荧光效应的影响；（2）在掺杂过程中，杂质原子和缺陷等对氧化石墨烯的电子结构、光电性能的影响；（3）基于密度泛函的第一性原理模拟计算缺陷及杂质原子对石墨烯的电子结构、光电性能和电子输运的影响。结合实验结果，确定影响氧化石墨烯光电性能的关键控制因素与机理，旨在为石墨烯在光电子器件等的大面积应用研究提供理论和实践上的依据。

中文关键词： 氧化石墨烯；缺陷；光电性能；微结构；能量存储

英文摘要： Because of the extra high carrier mobility and specific character on electronic charge transfer, graphene has been considered as a new and ideal material for highly performed field—emission transistor devices. As the product of graphene preparation through oxidation-reduction, graphene oxide(G0) is generally thought to be a material on defective state. Because of the inherent defects and non-uniformity of G0’s electronic structure, it is possible for us to control its photoelectronic properties through chemical method. But now people don’t know much about the influence of these defects on G0’s photoelectronic properties. In this proposal , based on our preparation of highly conductive G0, we will study on: (1) the effects of G0’s electronic structure and defect evolution on it’s electrical conductivity and fluorescence during the G0 reduction. (2) the influence of impurities and defects on G0’s electronic structure and photoelectronic properties in doping. (3) simulation of the effects of the defects and impurities on G0’s electronic structure, photoelectronic properties and electron transportation using first principle based on density functional theory. Combined with the experimental results, we will determine the mechanism and key factors which influence G0’s photoelectronic properties. The aim of this inves

英文关键词： Graphene oxide；Defect；Optoelectronic properties；Microstructure；Energy storage