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- W3202932445 abstract "It is well established that the lack of understanding the crystallization process in two-step sequential deposition has a direct impact on efficiency, stability and reproducibility of perovskite solar cells. Here, we try to understand the solid-solid phase transition occuring during two-step sequential deposition of methylammonium lead iodide and formamidinium lead iodide. Using metadynamics, X-ray diffraction and Raman spectroscopy, we reveal the microscopic details of this process. We find that the formation of perovskite proceeds through intermediate structures and report polymorphs found for methylammonium lead iodide and formamidinium lead iodide. From simulations, we discover a possible crystallization pathway for the highly efficient metastable α-phase of formamidinium lead iodide. Guided by these simulations, we perform experiments that results in the room temperature crystallization of α-formamidinium lead iodide." @default.
- W3202932445 created "2021-10-11" @default.
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- W3202932445 date "2020-10-14" @default.
- W3202932445 modified "2023-09-30" @default.
- W3202932445 title "Molecular Dynamics Simulations of Two-Step Process Enable Room-Temperature Synthesis of α-FAPbI3" @default.
- W3202932445 doi "https://doi.org/10.26434/chemrxiv.13084265.v1" @default.
- W3202932445 hasPublicationYear "2020" @default.
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