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Anharmonicity and Disorder in the Black Phases of Cesium Lead Iodide used for Stable Inorganic Perovskite Solar Cells

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Academic year: 2021

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Figure 1: Temperature dependent synchrotron XRD (SXRD). (a) SXRD spectra for CsP bI 3
Figure 2: Structural phase transitions in CsP bI 3 versus temperature. (a) The initial yellow perovskitoid phase (δ-CsP bI 3 , N H 4 CdCl 3 -type) converts to (b) the black perovskite phase (α-CsP bI 3 , CaT iO 3 -type) as the temperature exceeds the trans
Figure 3: Temperature evolution of CsP bI 3 . (a) δ-CsP bI 3 (Pnma ) expands linearly on heating up to the transition temperature at around 600K where the phase transition to α-CsP bI 3 (P m3m) produces a large increase in the cell volume
Table 1: Normalized lattice constants ( A) and octahedral tilting angles ˚ 42 of the 3 black phases of CsP bI 3 from SXRD.
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