[20p-C302-1~11] 12.5 Organic and hybrid solar cells

1:00 PM - 1:15 PM JST(4:00 AM - 4:15 AM UTC)Presentation by Applicant for JSAP Young Scientists Presentation Award

[20p-C302-1] Exploration for high-pressure phase of CH₃NH₃SnI₃ by In-Situ XRD and DFT calculation

〇Kenta Nakahara¹, Yongpeng Tang¹, Qing Wang¹, Tomoki Iio², Masafumi Matsushita², Hiroyuki Saito³, Satoshi Iikubo¹ (1.Kyushu Univ., 2.Ehime Univ., 3.QST)

Keywords:

perovskite,In-Situ XRD,first-principles calculation

The structure of organic-inorganic perovskite CH₃NH₃SnI₃ was investigated by In-Situ XRD under high pressure and high temperature. The possibility of phase transitions and high-pressure phase recovery were also investigated by first-principles calculation. Pristine is tetragonal, and once amorphous under pressure, a new peak appeared with increasing temperature. This is considered to be a structural phase transition to orthorhombic phase, which is observed at ambient pressure and low temperature. When recovered to ambient temperature and pressure, orthorhombic material similar to that in the previous study was obtained.