Strong Correlation Between A‐Site Cation Order and Self‐Trapped Exciton Emission in 0D Hybrid Perovskites
Metal halide perovskites and their derived materials have garnered significant attention as promising materials for solar cell and light‐emitting applications. Among them, 0D perovskites, characterized by unique crystallographic/electronic structures with isolated metal halide octahedra, exhibit tre...
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Wiley-VCH
2025-02-01
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| Online Access: | https://doi.org/10.1002/smsc.202400443 |
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| author | Feier Fang Yongwang Shen Yu Li Kaimin Shih Hanlin Hu Haizhe Zhong Yumeng Shi Tom Tao Wu |
| author_facet | Feier Fang Yongwang Shen Yu Li Kaimin Shih Hanlin Hu Haizhe Zhong Yumeng Shi Tom Tao Wu |
| author_sort | Feier Fang |
| collection | DOAJ |
| description | Metal halide perovskites and their derived materials have garnered significant attention as promising materials for solar cell and light‐emitting applications. Among them, 0D perovskites, characterized by unique crystallographic/electronic structures with isolated metal halide octahedra, exhibit tremendous potential as light emitters with self‐trapped exciton (STE). However, the modulation of STE emission characteristics in 0D perovskites primarily focuses on regulating B‐ or X‐site elements. In this work, a lead‐free compound, Sb3+‐doped ((C2H5)2NH2)3InCl6 single crystal, which exhibits a high photoluminescence quantum yield, is synthesized, and with increasing temperature, the A‐site organic cations undergo a transition from an ordered configuration to a disordered one, accompanied by a redshift in the STE emission. Furthermore, Hirshfeld surface calculations reveal that high temperatures enhance the thermal vibrations of SbCl63− clusters and the octahedra distortion, which are responsible for the redshift. Since this thermally triggered transition of A‐site order is reversible, it can be exploited for temperature‐sensing applications. Overall, in this work, valuable insights are provided into the role of A‐site cations in modulating STE emission and the design of efficient light emitters. |
| format | Article |
| id | doaj-art-78d1464f615347e1bdf4843b49ec2e90 |
| institution | DOAJ |
| issn | 2688-4046 |
| language | English |
| publishDate | 2025-02-01 |
| publisher | Wiley-VCH |
| record_format | Article |
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| spelling | doaj-art-78d1464f615347e1bdf4843b49ec2e902025-08-20T03:08:06ZengWiley-VCHSmall Science2688-40462025-02-0152n/an/a10.1002/smsc.202400443Strong Correlation Between A‐Site Cation Order and Self‐Trapped Exciton Emission in 0D Hybrid PerovskitesFeier Fang0Yongwang Shen1Yu Li2Kaimin Shih3Hanlin Hu4Haizhe Zhong5Yumeng Shi6Tom Tao Wu7International Collaborative Laboratory of 2D Materials for Optoelectronics Science and Technology of Ministry of Education Institute of Microscale Optoelectronics Shenzhen University Shenzhen 518060 P. R. ChinaInternational Collaborative Laboratory of 2D Materials for Optoelectronics Science and Technology of Ministry of Education Institute of Microscale Optoelectronics Shenzhen University Shenzhen 518060 P. R. ChinaDepartment of Computer Science and Engineering The Chinese University of Hong Kong Hong Kong SAR 999077 P. R. ChinaDepartment of Civil Engineering University of Hong Kong Pok Fu Lam Road Hong Kong SAR 999077 P. R. ChinaHoffmann Institute of Advanced Materials Shenzhen Polytechnic University 7098, Liuxian Boulevard Shenzhen 518055 P. R. ChinaInternational Collaborative Laboratory of 2D Materials for Optoelectronics Science and Technology of Ministry of Education Institute of Microscale Optoelectronics Shenzhen University Shenzhen 518060 P. R. ChinaKey Laboratory of Luminescence and Optical Information Ministry of Education School of Physical Science and Engineering Beijing Jiaotong University Beijing 100044 P. R. ChinaDepartment of Applied Physics Hong Kong Polytechnic University Hung Hom Kowloon Hong Kong 999077 P. R. ChinaMetal halide perovskites and their derived materials have garnered significant attention as promising materials for solar cell and light‐emitting applications. Among them, 0D perovskites, characterized by unique crystallographic/electronic structures with isolated metal halide octahedra, exhibit tremendous potential as light emitters with self‐trapped exciton (STE). However, the modulation of STE emission characteristics in 0D perovskites primarily focuses on regulating B‐ or X‐site elements. In this work, a lead‐free compound, Sb3+‐doped ((C2H5)2NH2)3InCl6 single crystal, which exhibits a high photoluminescence quantum yield, is synthesized, and with increasing temperature, the A‐site organic cations undergo a transition from an ordered configuration to a disordered one, accompanied by a redshift in the STE emission. Furthermore, Hirshfeld surface calculations reveal that high temperatures enhance the thermal vibrations of SbCl63− clusters and the octahedra distortion, which are responsible for the redshift. Since this thermally triggered transition of A‐site order is reversible, it can be exploited for temperature‐sensing applications. Overall, in this work, valuable insights are provided into the role of A‐site cations in modulating STE emission and the design of efficient light emitters.https://doi.org/10.1002/smsc.202400443A‐site cationsorder–disorder transformationsself‐trapped excitonstemperature sensings; 0D perovskites |
| spellingShingle | Feier Fang Yongwang Shen Yu Li Kaimin Shih Hanlin Hu Haizhe Zhong Yumeng Shi Tom Tao Wu Strong Correlation Between A‐Site Cation Order and Self‐Trapped Exciton Emission in 0D Hybrid Perovskites Small Science A‐site cations order–disorder transformations self‐trapped excitons temperature sensings; 0D perovskites |
| title | Strong Correlation Between A‐Site Cation Order and Self‐Trapped Exciton Emission in 0D Hybrid Perovskites |
| title_full | Strong Correlation Between A‐Site Cation Order and Self‐Trapped Exciton Emission in 0D Hybrid Perovskites |
| title_fullStr | Strong Correlation Between A‐Site Cation Order and Self‐Trapped Exciton Emission in 0D Hybrid Perovskites |
| title_full_unstemmed | Strong Correlation Between A‐Site Cation Order and Self‐Trapped Exciton Emission in 0D Hybrid Perovskites |
| title_short | Strong Correlation Between A‐Site Cation Order and Self‐Trapped Exciton Emission in 0D Hybrid Perovskites |
| title_sort | strong correlation between a site cation order and self trapped exciton emission in 0d hybrid perovskites |
| topic | A‐site cations order–disorder transformations self‐trapped excitons temperature sensings; 0D perovskites |
| url | https://doi.org/10.1002/smsc.202400443 |
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