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Atomistic origins of CH3NH3PbI3 degradation to PbI2 in vacuum
Abstract
We study the mechanisms of CH3NH3PbI3 degradation and its transformation to PbI2 by means of X-ray diffraction and the density functional theory. The experimental analysis shows that the material can degrade in both air and vacuum conditions, with humidity and temperature-annealing strongly accelerating such process. Based on ab initio calculations, we argue that even in the absence of humidity, a decomposition of the perovskite structure can take place through the statistical formation of molecular defects with a non-ionic character, whose volatility at surfaces should break the thermodynamic defect equilibria. We finally discuss the strategies that can limit such phenomenon and subsequently prolong the lifetime of the material.
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Cited by
Aristidou, N., Eames, C., Sanchez-Molina, I., Bu, X., Kosco, J., Islam, M. S., & Haque, S. A. (2017) · Nature Communications · doi:10.1038/ncomms15218 · Cited by 1,298
Temperature-Dependent Optical Band Gap in CsPbBr3, MAPbBr3, and FAPbBr3 Single Crystals
Mannino, G., Deretzis, I., Smecca, E., La Magna, A., Alberti, A., Ceratti, D., & Cahen, D. (2020) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.0c00295 · Cited by 355
Self-citationStability of solution-processed MAPbI3 and FAPbI3 layers
Smecca, E., Numata, Y., Deretzis, I., Pellegrino, G., Boninelli, S., Miyasaka, T., La Magna, A., & Alberti, A. (2016) · Physical Chemistry Chemical Physics · doi:10.1039/c6cp00721j · Cited by 265
Self-citationIn Situ TEM Analysis of Organic–Inorganic Metal-Halide Perovskite Solar Cells under Electrical Bias
Jeangros, Q., Duchamp, M., Werner, J., Kruth, M., Dunin-Borkowski, R. E., Niesen, B., Ballif, C., & Hessler-Wyser, A. (2016) · Nano Letters · doi:10.1021/acs.nanolett.6b03158 · Cited by 152
Metadata
- Authors
- Deretzis, I., Alberti, A., Pellegrino, G., Smecca, E., Giannazzo, F., Sakai, N., Miyasaka, T., & La Magna, A.
- Venue
- Applied Physics Letters
- Publisher
- AIP Publishing
- Published
- 2015-03-30
- Volume
- 106
- Issue
- 13
- ISSN
- 0003-6951 (ISSN-L)
- 1077-3118
- OpenAlex
- W1980699969
- Cited by
- 185
- References
- 0
- FWCI
- 13.79
- Type
- journal article
- Language
- en
- Open access
- closed
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- Deretzis, I., Alberti, A., Pellegrino, G., Smecca, E., Giannazzo, F., Sakai, N., Miyasaka, T., & La Magna, A. (2015). Atomistic origins of CH3NH3PbI3 degradation to PbI2 in vacuum. Applied Physics Letters. https://doi.org/10.1063/1.4916821
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