钙钛矿衍生光伏材料的研究进展

Research progress of perovskite-derived photovoltaic materials

钙钛矿材料凭其优异的性能登上了光伏的舞台,但其含铅毒性与不稳定性必然成为其未来发展瓶颈。因此,探索新型高效、稳定的无铅类光伏材料刻不容缓。在ABX3结构的基础上,本文对无铅、高稳定性的全无机A3B2X9结构钙钛矿、卤化物双钙钛矿中的A2B(I)B(III)X6与A2B(Ⅳ)X6、硫化物-卤化物等体系光伏材料在太阳能电池、光电探测器与发光二极管等领域的应用与探索进行综述。并在此基础上阐述了机器学习与高通量密度泛函理论计算相结合在探索新型光伏材料上的一些突破进展。最后对未来光伏材料的突破点进行展望,该工作对科研人员将来开发新兴光伏材料具有重大意义。

Perovskite material has been on the photovoltaic stage due to its excellent performance,but its toxicity and instability will become its future development bottleneck.Therefore,it is urgent to explore new high-efficiency and stable lead-free photovoltaic materials.On the basis of ABX3 structure,this paper reviews the application of lead free,high stability of inorganic A3B2X9 structure perovskite,A2B(I)B(III)X6 and A2B(Ⅳ)X6 in halide double perovskite and sulfide-halide system photovoltaic materials in solar cell,PDs and LEDs.In this foundation,some breakthroughs in exploring new photovoltaic materials by combining ML with high-throughput DFT calculation are described.Finally,the breakthrough points of photovoltaic materials in the future are prospected,this work is of great significance for researchers to develop new photovoltaic materials in the future.