【摘要】 钙钛矿太阳电池以其较高的光电转化效率受到业界关注。本文基于数值仿真技术,获得了CH₃NH₃PbI₃钙钛矿太阳电池器件的光电性能。结果表明:器件的实验吸收谱与太阳辐射谱较为匹配,且第一性原理计算得到CH₃NH₃PbI₃晶体具有带隙约为1.6e V的直接带隙半导体结构,这为实现高效光吸收进而发生电子跃迁提供了基础。基于wx AMPS系统的计算结果,发现电池器件的光电转化效率达到15%以上,器件中TiO₂致密层和Spiro-MeOTAD层因其能级与CH₃NH₃PbI₃吸收层的匹配作用而实现电子和空穴的分离。随吸收层厚度增加,CH₃NH₃PbI₃吸收层内可产生更多的光电子参与后续光电转化,导致器件短路电流Jsc增大。更多还原

【Abstract】 Perovskite-based solar cell device has drawn the interestsof the new energy industry due to its high photoelectric conversion efficiency. In this article, the photoelectric characteristic of CH₃NH₃PbI₃ perovskite-based solar cell device has been numerically simulated. Results show that the experimental absorption spectrum is accord to the standard sun radiation spectrum, and the CH₃NH₃PbI₃ crystal is found to be direct-gap semiconductor based on the first principle calculation, with its energy gap of about 1.6 e V. Such crystal property is the basis to realize high photoelectric conversion. Calculated through wx AMPS simulation system, the CH₃NH₃PbI₃ perovskite-based solar cell device presents efficiency above 15%, and the TiO2 and Spiro-Me OTAD layer have effectively separated the electrons and holes in the CH and Spiro-Me D layer have effectively separated the electrons and holes in the CH₃NH₃PbI₃ perovskite layer due to the matching energy structures among the three layers.Whenperovskite layer thickness increasing, more photoelectrons are generated in the conduction band of CH₃NH₃PbI₃ crystals, and the short-circuit current J, and the short-circuit current Jsc of the device are f the device are accordingly grown up.更多还原