经过表面改性的自支撑的锗烯的能带结构和光学性能研究

项目名称： 经过表面改性的自支撑的锗烯的能带结构和光学性能研究

项目编号： No.61474097

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 无线电电子学、电信技术

项目作者： 皮孝东

作者单位： 浙江大学

项目金额： 75万元

中文摘要： 在具有类似石墨烯结构的二维层状材料中，锗烯由于与当前的硅微电子技术具有相当好的兼容性而被寄予厚望。但是，到目前为止有关锗烯的研究还主要处于理论探索阶段。本项目提出通过化学剥离具有层状结构的聚锗烷来制备锗的二维层状结构。由于化学剥离是通过表面改性剂与聚锗烷中被氢钝化的各锗层表面反应而实现的，所获得的锗的二维层状结构就是自支撑的表面经过改性的锗烯。借助第一性原理计算，我们将系统研究表面改性在锗烯表面引入的有机配体的成键类型和所含官能团对锗烯的能带结构的影响。通过分析经过表面改性的锗烯的结构、光吸收和光发射，掌握利用表面改性调控锗烯的能带结构进而其光学行为的规律。已有的理论研究表明被氢钝化的锗烯是具有直接带隙的半导体，而本项目对经过表面改性的被有机配体钝化的锗烯的研究将为锗烯在光电领域的实际应用奠定基础。

中文关键词： 锗烯；化学剥离；表面改性；能带结构；光学性能

英文摘要： Among graphene-like two-dimentional materials, germanene holds great promise because of its compatibility with current silicon-based microelectronics. However, research on germanene has been mainly limited to theory up to now. In this work, two-dimentional germanium will be synthesized by chemically exfoliating layered polygermane.The chemical exfoliation is carried out via the reaction between surface modifiers and the hydrogenated surface of germanium layers.Supported with first-principles calculation, we will systematically study the effect of the bonding and functional group of ligands introduced by the surface modification on the band structure of germanene. The structure, optical absorption and photoluminescence of surface-modified germanene are going to be experimentally analyzed. We aim to elucidate the mechanisms for the changes of the band structure of germanene and those of the optical behavior of germanene with surface modification. Previous theoretical work has shown that hydrogenated germanene is a direct badgap semiconductor. The curret work on the surface-modified organic-ligand-passivated germanene should lay a foundation for the practical use of germanene in optoelectronics.

英文关键词： germanene;chemical exfoliation;surface modification;band structures;optical properties