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Thermodynamic Origin of the Photostability of the Two-Dimensional Perovskite PEA2Pb(I1–xBrx)4 AITranslate

Zehua Chen; Haibo Xue; Geert Brocks; Peter A. Bobbert; Shuxia Tao;
Eindhoven University of Technology; Eindhoven University of Technology; University of Twente; Eindhoven University of Technology; Eindhoven University of Technology
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Publisher: ACS
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Abstract AITranslate

The two-dimensional (2D) mixed halide perovskite PEA2Pb(I1–xBrx)4 exhibits high phase stability under illumination as compared to the three-dimensional (3D) counterpart MAPb(I1–xBrx)3. We explain this difference using a thermodynamic theory that considers the sum of a compositional and a photocarrier free energy. Ab initio calculations show that the improved compositional phase stability of the 2D perovskite is caused by a preferred I–Br distribution, leading to a much lower critical temperature for halide segregation in the dark than for the 3D perovskite. Moreover, a smaller increase of the band gap with Br concentration x and a markedly shorter photocarrier lifetime in the 2D perovskite reduce the driving force for phase segregation under illumination, enhancing the photostability.

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DOI：https://doi.org/10.1021/acsenergylett.2c02463

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Citation Information:

The two-dimensional (2D) mixed halide perovskite PEA2Pb(I1–xBrx)4 exhibits high phase stability under illumination as compared to the three-dimensional (3D) counterpart MAPb(I1–xBrx)3. We explain this difference using a thermodynamic theory that considers the sum of a compositional and a photocarrier free energy. Ab initio calculations show that the improved compositional phase stability of the 2D perovskite is caused by a preferred I–Br distribution, leading to a much lower critical temperature for halide segregation in the dark than for the 3D perovskite. Moreover, a smaller increase of the band gap with Br concentration x and a markedly shorter photocarrier lifetime in the 2D perovskite reduce the driving force for phase segregation under illumination, enhancing the photostability.

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GB/T 7714-2015 [1] Zehua Chen, Haibo Xue, Geert Brocks, et al. ACS Energy Letters, 2023(8). DOI:10.1021/acsenergylett.2c02463.
MLA [1] Zehua Chen, et al., ACS Energy Letters, no. 8, 2023, https://doi.org/10.1021/acsenergylett.2c02463.
APA [1] Zehua Chen, Haibo Xue, Geert Brocks, Peter A. Bobbert, & Shuxia Tao. (2023). ACS Energy Letters(8). https://doi.org/10.1021/acsenergylett.2c02463
IEEE [1] Zehua Chen, Haibo Xue, Geert Brocks, Peter A. Bobbert, and Shuxia Tao, ACS Energy Letters, no. 8, 2023, doi: 10.1021/acsenergylett.2c02463.