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Phase transformations and vibrational properties of hybrid organic–inorganic perovskite MAPbI 3 bulk at high pressure

Ardimas; Pakornchote, Teerachote; Sukmas, Wiwittawin; Chatraphorn, Sojiphong; Clark, Stewart J.; Bovornratanaraks, Thiti

Phase transformations and vibrational properties of hybrid organic–inorganic perovskite MAPbI 3 bulk at high pressure Thumbnail


Authors

Ardimas

Teerachote Pakornchote

Wiwittawin Sukmas

Sojiphong Chatraphorn

Thiti Bovornratanaraks



Abstract

The structural stability and internal properties of hybrid organic–inorganic perovskites (HOIPs) have been widely investigated over the past few years. The interplay between organic cations and inorganic framework is one of the prominent features. Herein we report the evolution of Raman modes under pressure in the hybrid organic–inorganic perovskite MAPbI3 by combining the experimental approach with the first-principles calculations. A bulk MAPbI3 single crystal was synthesized via inverse temperature crystallization (ITC) technique and characterized by Raman spectroscopy, while the diamond anvil cells (DACs) was employed to compress the sample. The classification and behaviours of their Raman modes are presented. At ambient pressure, the vibrations of inorganic PbI6 octahedra and organic MA dominate at a low-frequency range (60–760 cm-1) and a fingerprint range (900–1500 cm-1), respectively. The applied pressure exhibits two significant changes in the Raman spectrum and indicates of phase transition. The results obtained from both experiment and calculations of the second phase at 3.26 GPa reveal that the internal vibration intensity of the PbI6 octahedra (< 110 cm-1) reduces as absences of MA libration (150–270 cm-1) and internal vibration of MA (450–750 cm-1). Furthermore, the hydrogen interactions around 1300 cm-1 remain strong high pressure up to 5.34 GPa.

Citation

Ardimas, Pakornchote, T., Sukmas, W., Chatraphorn, S., Clark, S. J., & Bovornratanaraks, T. (2023). Phase transformations and vibrational properties of hybrid organic–inorganic perovskite MAPbI 3 bulk at high pressure. Scientific Reports, 13(1), Article 16854. https://doi.org/10.1038/s41598-023-43020-1

Journal Article Type Article
Acceptance Date Sep 18, 2023
Online Publication Date Oct 6, 2023
Publication Date 2023
Deposit Date Oct 16, 2023
Publicly Available Date Oct 16, 2023
Journal Scientific Reports
Publisher Nature Research
Peer Reviewed Peer Reviewed
Volume 13
Issue 1
Article Number 16854
DOI https://doi.org/10.1038/s41598-023-43020-1
Public URL https://durham-repository.worktribe.com/output/1797676

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This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.




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