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有机金属卤化物钙钛矿太阳能电池的研究进展

ISSN号：0023-074X
期刊名称：科学通报
时间：2015.3.10
页码：581-592
分类：O484.41[理学—固体物理;理学—物理]
作者机构：[1]河北大学物理科学与技术学院,河北省光电信息材料重点实验室,保定071002, [2]epartment of Chemical and Biological Engineering, University of Colorado, Boulder 80303, USA
相关基金：国家自然科学基金（61205180）; 国家杰出青年科学基金（61125505）; 中西部高校综合实力提升工程; 河北省首批青年拔尖人才支持计划; 河北大学优秀青年基金（2012JQ01）资助
相关项目：溶胶-凝胶法制备稀土离子掺杂氯硅酸钙及其性能优化

关键词：有机金属卤化物钙钛矿, 太阳能电池, 禁带宽度, 空穴传输层, 界面, 密度泛函理论, organohalide perovskite, solar cells, band gap, hole transfer materials, interface, density functional theory

中文摘要：

2009年CH3NH3PbI3太阳能电池问世,因其具备制备工艺相对简单、光电转换率高等优点,引起了国内外研究者极大的关注.近几年,有机金属卤化物钙钛矿太阳能电池发展迅速,光伏性能不断得到提高.然而CH3NH3PbI3电池器件受钙钛矿材料本身禁带宽度的限制,对太阳光的吸收光谱不够宽,并且其重要组成部分的Pb元素,具有一定毒性.因此制备带隙更窄、环境友好及化学稳定性好的有机金属卤化物钙钛矿太阳能电池具有重要的应用价值.本文评述了以寻找Pb的替代元素、提高入射光吸收效率、改善太阳能电池光伏性能为目标所进行的钙钛矿材料禁带宽度调控方面的研究成果,比较了有机、无机空穴传输材料和无空穴传输材料钙钛矿太阳能电池的光伏性能,讨论了界面结构在电子和空穴输运过程中的重要性.介绍了目前在CH3NH3Pb I3及类似有机金属卤化物钙钛矿材料的原子结构、能带结构和禁带宽度等理论研究方面的进展,讨论了常见计算方法的优缺点和需要注意的问题,为开展有机金属卤化物钙钛矿的理论研究提供了思路.最后提出该领域目前存在的问题以及对未来的展望.

英文摘要：

Since 2009, greater attention has been paid to organic-inorganic hybrid CH3NH3PbI3 solar cells because of their simple fabrication process and high power conversion efficiency. Organohalide perovskite solar cells now develop very fast and their photovoltaic performance has been gradually improved. However, because of a band-gap limitation, the sunlight absorption spectrum of CH3NH3PbI3 is not broad enough to produce enhanced photovoltaic properties. In addition, Pb, as an important element, is toxic in organohalide perovskite. Thus, it is significant and meaningful to fabricate narrow-gap, environmentally friendly organohalide perovskite solar cells with better chemical stability. In the present paper, we mainly reviewed the progress in the band-gap engineering of perovskite materials to identify elements to replace toxic Pb and improve the absorption efficiency of incident light and the photovoltaic performance of solar cells. The influences of organic and inorganic hole transporting materials on the power conversion efficiencies of devices were compared, followed by a discussion of the recent progress in hole-conductor-free solar ceils. To date, the theoretical research on organohalide perovskites is neither fully comprehensive nor far-reaching. We then conducted a review of the progress of theoretical research on the atomic structure, band structure, and band gap of CH3NH3PbI3 and other analog perovskite materials. The advantages and disadvantages of popular theoretical methods and their issues, which would be helpful for developing computational work, are also discussed. Finally, we include a number of open questions relevant to this field and present some research topics for the future.

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