Pressure-Dependent Polymorphism and Band-Gap Tuning of Methylammonium Lead Iodide Perovskite

• Main Authors: Jiang, Shaojie, Fang, Yanan, Li, Ruipeng, Xiao, Hai, Crowley, Jason, Wang, Chenyu, White, Timothy John, Goddard III, William A., Wang, Zhongwu, Baikie, Tom, Fang, Jiye
• Other Authors: School of Materials Science and Engineering
• Format: Article
• Language: English
• Published: 2017
• Subjects: High pressure; Halide perovskite
• Online Access: https://hdl.handle.net/10356/84818; http://hdl.handle.net/10220/42018
• Institution: Nanyang Technological University

We report the pressure-induced crystallographic transitions and optical behavior of MAPbI3 (MA=methylammonium) using in situ synchrotron X-ray diffraction and laser-excited photoluminescence spectroscopy, supported by density functional theory (DFT) calculations using the hybrid functional B3PW91 wi...