The crystal anisotropy effect of MAPbI3 perovskite on optoelectronic devices
Materials Today Energy(2020)
摘要
The crystal anisotropy is of great importance to the charge carrier transport and optical absorption of perovskite materials. Owing to the discrepancy of tetragonal MAPbI3 crystal structure along with different directions, the optical and electronic properties are anisotropic, resulting in the different characters of semiconductor device performance. In this study, the results demonstrate that the transport character and optical absorption of tetragonal MAPbI3 along [001] direction are superior to that along [100] direction by comparing mobility, density of states and absorption coefficient based on first-principle calculation. By using drift-diffusion model, the power conversion efficiency of tetragonal MAPbI3 solar cell and spectral responsivity of tetragonal MAPbI3 photodetector along [001] direction surpass those along [100] direction. Consequently, the results strongly suggest that the optoelectronic performance of tetragonal MAPbI3 along [001] direction is superior to that along [100] direction. The state-of-the-art multiscale simulation connecting from materials to the device, suggests that the [001] orientation should be selected for tetragonal MAPbI3 single crystal solar cells and photodetectors in the practical device applications.
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关键词
Tetragonal MAPbI3 perovskite,Crystal anisotropy property,Solar cells,Photodector,First-principle calculation
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