光伏材料铜锑硫薄膜的电学输运机制研究

项目名称： 光伏材料铜锑硫薄膜的电学输运机制研究

项目编号： No.51502015

项目类型： 青年科学基金项目

立项/批准年度： 2016

项目学科： 一般工业技术

项目作者： 韩俊峰

作者单位： 北京理工大学

项目金额： 20万元

中文摘要： 由于能源短缺和环境污染等问题，近年来各国积极发展包括太阳能在内的各种可再生能源。其中，薄膜化合物太阳能电池发展非常迅速，如碲化镉和铜铟镓硒电池。但碲和铟的稀缺性限制了其大规模应用，发展高丰度光伏材料成为一个重要研究方向，而铜锑硫是其中较为合适的吸收层材料之一。目前报道的铜锑硫光伏电池的最高转换效率仅有3.1%，离它的理论效率23%还有相当大的差距，限制铜锑硫电池效率的机制还不是非常清楚。本项目利用第一性原理计算和X射线衍射、拉曼光谱、X射线光电子谱、透射电镜等实验手段，研究铜锑硫内部几种多元相的热力学稳定性、晶粒和晶界处缺陷类型、分布、形成能和占据的能级位置等；通过霍尔测试、时间分辨PL谱、光电导和温度-电阻测量等，获得材料电学输运性能。理论结合实验，研究这些相与缺陷对载流子输运过程造成的影响，揭示铜锑硫材料中限制载流子输运的物理机制问题，为制备高效光伏电池提供坚实的基础。

中文关键词： 光伏材料；薄膜；铜锑硫；第一性原理计算；透射电镜

英文摘要： Due to the energy and environment problems, renewable energies, like photovoltaic technology, are developed quickly all over the world. Thin film solar cells, i.e. CIGS and CdTe, as two of the most popular photovoltaic technologies, are developing fast. However, the rare Indium and Tellurium limited the mass product and application. As a result, the new research work focus to the earth abundant photovoltaic materials in the thin film solar cell field. CuSbS2 is one of candidate materials as absorption layers. However, the recorded efficiency of CuSbS2 solar cell is only 3.1%, which is far below its theory efficiency 23%. The reasons of low efficiency are not clear till now. The related studies of physics mechanism become more and more necessary and important. In this program, we will employ the first-principles to calculate the forming energies of several phases in the films, the forming energies of the defects in the grain bulks and boundaries, and the energy levels of those defects. Furthermore, we are planning to investigate the phases and defects of CuSbS2 films by using X-ray Diffraction, Raman spectrum, X-ray photoelectron spectroscopy and transmission electronic microscopy. And we are also going to analyze the electrical properties of thin films with Hall effect measurement, Time-resolution PL spectrum, photon-conductivity and temperature-dependant resistance measurements. Finally, those theoretical and experimental studies will contribute to the explanations of physical mechanism of carrier transportation in the CuSbS2 films. This work will be benefit to the research and fabrication of high efficiency CuSbS2 solar cells.

英文关键词： Photovoltaic materials;Thin films;CuSbS2;First-principles calculation;TEM