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Ke, Feng; Wang, Chenxu; Jia, Chunjing; Wolf, Nathan R.; Yan, Jiejuan; Niu, Shanyuan; Devereaux, Thomas P.; Karunadasa, Hemamala I.; Mao, Wendy L.; Lin, Yu
Nature communications, 01/2021, Letnik: 12, Številka: 1Journal Article
Abstract Functional CsPbI 3 perovskite phases are not stable at ambient conditions and spontaneously convert to a non-perovskite δ phase, limiting their applications as solar cell materials. We demonstrate the preservation of a black CsPbI 3 perovskite structure to room temperature by subjecting the δ phase to pressures of 0.1 – 0.6 GPa followed by heating and rapid cooling. Synchrotron X-ray diffraction and Raman spectroscopy indicate that this perovskite phase is consistent with orthorhombic γ-CsPbI 3 . Once formed, γ-CsPbI 3 could be then retained after releasing pressure to ambient conditions and shows substantial stability at 35% relative humidity. First-principles density functional theory calculations indicate that compression directs the out-of-phase and in-phase tilt between the PbI 6 4− octahedra which in turn tune the energy difference between δ- and γ-CsPbI 3 , leading to the preservation of γ-CsPbI 3 . Here, we present a high-pressure strategy for manipulating the (meta)stability of halide perovskites for the synthesis of desirable phases with enhanced materials functionality.
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JCR | SNIP | JCR | SNIP | JCR | SNIP | JCR | SNIP |
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in: SICRIS
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