钙钛矿太阳电池器件光电性能数值仿真

Photoelectric characteristic simulation on perovskite-based solar cell device

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CH_3NH_3PbI_3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CH_3NH_3PbI_3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TiO_2致密层和Spiro-MeOTAD层因其能级与CH_3NH_3PbI_3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,CH_3NH_3PbI_3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。

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.