Surface Instability of Sn-Based Hybrid Perovskite Thin Film, CH3NH3SnI3: The Origin of Its Material Instability

To understand the instability of Sn-based perovskite, CH3NH3SnI3, photoelectron spectroscopy with synchrotron radiation and theoretical calculations, such as density functional theory and ab initio molecular dynamics, were performed. Findings from this experimental and theoretical study highlight th...

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Bibliographic Details
Published in:The journal of physical chemistry letters 2018-05, Vol.9 (9), p.2293-2297
Main Authors: Lee, Young Mi, Park, Jinwoo, Yu, Byung Deok, Hong, Suklyun, Jung, Min-Cherl, Nakamura, Masakazu
Format: Article
Language:English
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Summary:To understand the instability of Sn-based perovskite, CH3NH3SnI3, photoelectron spectroscopy with synchrotron radiation and theoretical calculations, such as density functional theory and ab initio molecular dynamics, were performed. Findings from this experimental and theoretical study highlight the crucial changes of surface-chemical states, the broken chemical bondings in Sn–I, and the depletion of a CH3–NH3 + cation on the surface region. The material instability origin of Sn-based perovskite can be explained by the chemical state instability in the surface.
ISSN:1948-7185
1948-7185
DOI:10.1021/acs.jpclett.8b00494