Pressure-induced transformation of CH 3 NH 3 PbI 3 : the role of the noble-gas pressure transmitting media
| Autor: | Dmitry Chernyshov, Anastasiia Glushkova, Márton Kollár, Volodymyr Svitlyk, László Forró, Gaétan Giriat, Alla Arakcheeva, Laura Henry, Andrzej Sienkiewicz, Bálint Náfrádi, Endre Horváth, Eleonora Polini |
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| Rok vydání: | 2019 |
| Předmět: |
crystal structure
perovskites 02 engineering and technology Crystal structure Electronic structure helium macromolecular substances 010402 general chemistry 01 natural sciences 7. Clean energy polymorphism Crystal stomatognathic system Phase (matter) methylammonium lead iodide Materials Chemistry luminescence Perovskite (structure) scintillation Chemistry behavior Energy conversion efficiency phase-transitions Metals and Alloys Noble gas methylammonium lead iodide 021001 nanoscience & nanotechnology Research Papers Atomic and Molecular Physics and Optics amorphization 0104 chemical sciences 3. Good health Electronic Optical and Magnetic Materials high pressure Ne and Ar pressure transmitting media 13. Climate action Chemical physics 0210 nano-technology absorption Atomic spacing |
| Zdroj: | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials 'Acta Crystallographica B ', vol: 75, pages: 361-370 (2019) |
| ISSN: | 2052-5206 0108-7681 |
| DOI: | 10.1107/s2052520619004554 |
| Popis: | A structural study of methylammonium lead triiodide [CH3NH3PbI3 (MAPbI3)], at high pressures up to 20 GPa using noble gases Ne and Ar as pressure-transmitting media is reported. It is found that both noble gases are chemically active at high pressures. In particular, Ne stabilizes the high-pressure structure of NexMAPbI3 and prevents amorphization up to 20 GPa. In contrast, Ar acts as a stabilizer only up to 2.4 GPa and accelerates irreversible amorphization upon further compression. The photovoltaic perovskite, methylammonium lead triiodide [CH3NH3PbI3 (MAPbI3)], is one of the most efficient materials for solar energy conversion. Various kinds of chemical and physical modifications have been applied to MAPbI3 towards better understanding of the relation between composition, structure, electronic properties and energy conversion efficiency of this material. Pressure is a particularly useful tool, as it can substantially reduce the interatomic spacing in this relatively soft material and cause significant modifications to the electronic structure. Application of high pressure induces changes in the crystal symmetry up to a threshold level above which it leads to amorphization. Here, a detailed structural study of MAPbI3 at high hydrostatic pressures using Ne and Ar as pressure transmitting media is reported. Single-crystal X-ray diffraction experiments with synchrotron radiation at room temperature in the 0–20 GPa pressure range show that atoms of both gaseous media, Ne and Ar, are gradually incorporated into MAPbI3, thus leading to marked structural changes of the material. Specifically, Ne stabilizes the high-pressure phase of NexMAPbI3 and prevents amorphization up to 20 GPa. After releasing the pressure, the crystal has the composition of Ne0.97MAPbI3, which remains stable under ambient conditions. In contrast, above 2.4 GPa, Ar accelerates an irreversible amorphization. The distinct impacts of Ne and Ar are attributed to differences in their chemical reactivity under pressure inside the restricted space between the PbI6 octahedra. |
| Databáze: | OpenAIRE |
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