Structure and interstitial iodide migration in hybrid perovskite methylammonium lead iodide
Authors:
- JL Minns,
- Paweł Łukasz Zajdel,
- D Chernyshov,
- W. van Beek,
- MA Green
Abstract
Hybrid perovskites form an emerging family of exceptional light harvesting compounds. However, the mechanism underpinning their photovoltaic effect is still far from understood, which is impeded by a lack of clarity on their structures. Here we show that iodide ions in the methylammonium lead iodide migrate via interstitial sites at temperatures above 280 K. This coincides with temperature dependent static distortions resulting in pseudocubic local symmetry. Based on bond distance analysis, the migrating and distorted iodines are at lengths consistent with the formation of I-2 molecules, suggesting a 2I(-) -> I-2 + 2e(-) redox couple. The actual formula of this compound is thus (CH3NH3)PbI3 (-) (2x)(I-2)(x) where x similar to 0.007 at room temperature. A crucial feature of the tetragonal structure is that the methylammonium ions do not sit centrally in the A-site cavity, but disordered around two off-centre orientations that facilitate the interstitial ion migration via a gate opening mechanism.
- Record ID
- USLfa639c17d0c8424b81251d2769389845
- Author
- Journal series
- Nature Communications, ISSN 2041-1723
- Issue year
- 2017
- Vol
- 8
- No
- 15152
- Pages
- 1-5
- Publication size in sheets
- 0.25
- Article number
- 15152
- Keywords in English
- ammonium; iodide; iodine; lead; perovskite; photovoltaic system; redox potential; symmetry; temperature effect
- DOI
- DOI:10.1038/ncomms15152 Opening in a new tab
- Handle.net URL
- hdl.handle.net/20.500.12128/9516 Opening in a new tab
- URL
- https://www.nature.com/articles/ncomms15152 Opening in a new tab
- Language
- eng (en) English
- License
- File
-
- File: 1
- Structure and interstitial iodide migration in hybrid perovskite methylammonium lead iodide, File Minns_Structure_and_interstitial_iodide_migration.pdf / 805 KB
- Minns_Structure_and_interstitial_iodide_migration.pdf
- publication date: 06-02-2024
- Structure and interstitial iodide migration in hybrid perovskite methylammonium lead iodide, File Minns_Structure_and_interstitial_iodide_migration.pdf / 805 KB
-
- Score (nominal)
- 45
- Score source
- BIBLIOGRAFIA DOROBKU PRACOWNIKÓW UŚ
- Publication indicators
- PubMed ID
- 28492242 Opening in a new tab
- Uniform Resource Identifier
- https://opus.us.edu.pl/info/article/USLfa639c17d0c8424b81251d2769389845/
- URN
urn:uni-kat-prod:USLfa639c17d0c8424b81251d2769389845
* presented citation count is obtained through Internet information analysis, and it is close to the number calculated by the Publish or PerishOpening in a new tab system.