Interplay Between Metastability and Mechanically Induced Structural Instability in CsPbBr3 Photovoltaic Perovskite
Source abstract
Abstract
An atomic-level understanding of the underlying structural metastability is still absent in halide perovskite photovoltaic systems. Focusing on the model material CsPbBr 3, the impact of mechanically induced atomic structure alteration is elucidated through structural modeling and X-ray diffraction measurements. Sudden Cs–Br bond breaking drives the system metastability, where the first-order transition arises from cation-halide bond strain relief by severing the corner connectivity of the PbBr 6 units. The pressure–volume and entropy terms govern the Gibbs free-energy landscape in halide perovskites. Metastability is revealed as a critical factor limiting the performance of lead halide perovskites under extreme but natural environments.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Perovskite Materials and Applications · Solid-state spectroscopy and crystallography · Chalcogenide Semiconductor Thin Films
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Physics
New Jersey Institute of Technology
Department of Chemical and Materials Engineering
Center for Advanced Radiation Sources
The University of Chicago
National Synchrotron Light Source II
Brookhaven National Laboratory
Department of Chemistry and Biochemistry
San Diego State University
Funding
National Science Foundation
References (44)
Show source-provided references
1. 10.1021/acs.chemrev.8b0053910.1021/acs.chemrev.8b00539 ↗
2. NREL. National Renewable Energy Laboratory Best Research Cell Efficiency Chart, 2024.
3. 10.1002/pip.386710.1002/pip.3867 ↗
4. 10.1038/s41560-019-0406-210.1038/s41560-019-0406-2 ↗
5. 10.1038/s41560-024-01689-210.1038/s41560-024-01689-2 ↗
6. 10.1038/s41377-024-01461-x10.1038/s41377-024-01461-x ↗
7. 10.1039/D0CS00573H10.1039/D0CS00573H ↗
8. 10.1038/s41560-023-01378-610.1038/s41560-023-01378-6 ↗
9. 10.1016/j.eml.2016.06.00610.1016/j.eml.2016.06.006 ↗
10. 10.1016/j.scriptamat.2018.02.02210.1016/j.scriptamat.2018.02.022 ↗
11. 10.1021/acs.chemrev.8b0033610.1021/acs.chemrev.8b00336 ↗
12. 10.1039/D4CC05905K10.1039/D4CC05905K ↗
13. 10.1038/s41467-020-20745-510.1038/s41467-020-20745-5 ↗
14. 10.1002/advs.20200304610.1002/advs.202003046 ↗
15. 10.1021/acsnano.4c0837810.1021/acsnano.4c08378 ↗
16. 10.1021/acsmaterialslett.9b0012810.1021/acsmaterialslett.9b00128 ↗
17. 10.1002/aenm.20180213910.1002/aenm.201802139 ↗
18. 10.1038/s41560-024-01651-210.1038/s41560-024-01651-2 ↗
19. 10.1016/j.joule.2023.12.00810.1016/j.joule.2023.12.008 ↗
20. 10.1002/eem2.1264910.1002/eem2.12649 ↗
21. 10.1002/adma.20210146910.1002/adma.202101469 ↗
22. 10.1016/j.mattod.2020.05.00210.1016/j.mattod.2020.05.002 ↗
23. 10.3390/cryst1105051910.3390/cryst11050519 ↗
24. 10.1021/acs.jpclett.7b0157710.1021/acs.jpclett.7b01577 ↗
25. 10.1021/jacs.7b0526010.1021/jacs.7b05260 ↗
26. 10.1038/s42004-024-01265-510.1038/s42004-024-01265-5 ↗
27. 10.1126/sciadv.abi824910.1126/sciadv.abi8249 ↗
28. 10.1038/s41467-023-36918-x10.1038/s41467-023-36918-x ↗
29. 10.1002/adma.20240303810.1002/adma.202403038 ↗
30. 10.1038/1821436a010.1038/1821436a0 ↗
31. 10.1515/zna-1971-081210.1515/zna-1971-0812 ↗
32. 10.1143/JPSJ.37.139310.1143/JPSJ.37.1393 ↗
33. 10.1103/PhysRevLett.87.12550110.1103/PhysRevLett.87.125501 ↗
34. 10.1088/0953-8984/28/5/05600510.1088/0953-8984/28/5/056005 ↗
35. 10.1063/1.513365310.1063/1.5133653 ↗
36. 10.1021/nl504877910.1021/nl5048779 ↗
37. 10.1021/acs.jpclett.7b0310610.1021/acs.jpclett.7b03106 ↗
38. 10.1023/A:102283680082010.1023/A:1022836800820 ↗
39. 10.1021/cg400645t10.1021/cg400645t ↗
40. 10.1038/s41467-024-45309-910.1038/s41467-024-45309-9 ↗
41. 10.1002/aenm.20220198910.1002/aenm.202201989 ↗
42. 10.1038/s41467-018-05774-510.1038/s41467-018-05774-5 ↗
43. 10.1021/acsenergylett.8b0136910.1021/acsenergylett.8b01369 ↗
44. 10.1002/adma.20230519210.1002/adma.202305192 ↗