Disorder-order transition–induced unusual bandgap bowing effect of tin-lead mixed perovskites

作者：Han Gao, Dong He, Zehua Chen, Peili Gao, Dongsheng He, Zhen-Ke Li, Xusheng Zhang, Jingwei Xiu, Qiang Sun, Shuming Chen, Su‐Huai Wei, Shu‐Hong Yu, Zhubing He · 发表于：Science Advances · 年份：2025 · DOI：10.1126/sciadv.ads4038 · 被引用次数：15 · 研究领域：Perovskite Materials and Applications、Thermal Expansion and Ionic Conductivity、Optical properties and cooling technologies in crystalline materials

Owing to the predominant merit of tunable bandgaps, tin-lead mixed perovskites have shown great potentials in realizing near-infrared optoelectronics and are receiving increasing attention. However, despite the merit, there is still a lack of fundamental understanding of the bandgap variation as a function of Sn/Pb ratio, mainly because the films are easy to segregate in terms of both composition and phase. Here, we report a fully stoichiometric synthesis of monocrystalline FAPb 1− x Sn x I 3 nanocrystals as well as their atomic-scale imaging. On the basis of the systematic measurements of the monocrystalline materials, strain and Coulomb interaction–induced atomic ordering was revealed to be responsible for the unusual discontinuous bandgap jumping near x = 0.5 from the expected bowing effect. As a result, both FAPb 0.6 Sn 0.4 I 3 and FAPb 0.4 Sn 0.6 I 3 have the lowest bandgaps of around 1.27 electron volts, while that of FAPb 0.5 Sn 0.5 I 3 is 1.33 electron volts. Correspondingly, their based light-emitting diodes can emit infrared lights with the wavelengths reaching 930 nanometers.