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journal article·2024-01Open access

How Photogenerated I2 Induces I‐Rich Phase Formation in Lead Mixed Halide Perovskites

Yang Zhou, Simone C. W. van Laar, Daniele Meggiolaro, Luca Gregori, Samuele Martani, Jia‐Yong Heng, Kunal Datta, Jesús Jiménez‐López, Feng Wang, E Laine Wong, Isabella Poli, Antonella Treglia, Daniele Cortecchia, Mirko Prato, Libor Kobera, Feng Gao, Ni Zhao, René A. J. Janssen, Filippo De Angelis, Annamaria Petrozza

Advanced Materials· Volume 36· Issue 1
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Source abstract

Abstract

Abstract Bandgap tunability of lead mixed halide perovskites (LMHPs) is a crucial characteristic for versatile optoelectronic applications. Nevertheless, LMHPs show the formation of iodide‐rich (I‐rich) phase under illumination, which destabilizes the semiconductor bandgap and impedes their exploitation. Here, it is shown that how I2, photogenerated upon charge carrier trapping at iodine interstitials in LMHPs, can promote the formation of I‐rich phase. I2 can react with bromide (Br−) in the perovskite to form a trihalide ion I2Br− (Iδ−‐Iδ+‐Brδ−), whose negatively charged iodide (Iδ−) can further exchange with another lattice Br− to form the I‐rich phase. Importantly, it is observed that the effectiveness of the process is dependent on the overall stability of the crystalline perovskite structure. Therefore, the bandgap instability in LMHPs is governed by two factors, i.e., the density of native defects leading to I2 production and the Br− binding strength within the crystalline unit. Eventually, this study provides rules for the design of chemical composition in LMHPs to reach their full potential for optoelectronic devices.
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Research context

Electronic materials

OpenAlex topics: Perovskite Materials and Applications · Solid-state spectroscopy and crystallography · Advancements in Solid Oxide Fuel Cells

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Center for Nano Science and Technology@Polimi Istituto Italiano di Tecnologia via Rubattino 81 Milano 20134 Italy

Molecular Materials and Nanosystems Institute for Complex Molecular Systems Eindhoven University of Technology P.O. Box 513 Eindhoven 5600 MB The Netherlands

Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO) Istituto CNR di Scienze e Tecnologie Chimiche “‘Giulio Natta”’ (CNR‐SCITEC) Via Elce di Sotto 8 Perugia 06123 Italy

Department of Chemistry Biology and Biotechnology University of Perugia and INSTM Via Elce di Sotto 8 Perugia 06123 Italy

Electronic Engineering Department The Chinese University of Hong Kong Shatin, NT 999077 Hong Kong

Department of Physics Chemistry and Biology Linköping University Linköping SE‐581 83 Sweden

Materials Characterization Facility Istituto Italiano di Tecnologia Via Morego Genova 16163 Italy

Institute of Macromolecular Chemistry Czech Academy of Sciences Heyrovsky Sq. 2 Prague 6 162 06 Czech Republic

SKKU Institute of Energy Science and Technology (SIEST) Sungkyunkwan University Suwon 440–746 South Korea

Funding

H2020 European Research Council

References (69)

Show source-provided references
1. 10.1021/nl400349b10.1021/nl400349b ↗
2. 10.1126/science.aad584510.1126/science.aad5845 ↗
3. 10.1021/acs.nanolett.5b0236910.1021/acs.nanolett.5b02369 ↗
4. 10.1021/acsenergylett.7b0064710.1021/acsenergylett.7b00647 ↗
5. 10.1016/j.mattod.2017.03.02110.1016/j.mattod.2017.03.021 ↗
6. 10.1039/C4SC03141E10.1039/C4SC03141E ↗
7. 10.1002/aenm.20190348810.1002/aenm.201903488 ↗
8. 10.1039/C9EE02162K10.1039/C9EE02162K ↗
9. 10.1021/acs.jpclett.5b0171610.1021/acs.jpclett.5b01716 ↗
10. 10.1021/acs.jpclett.6b0022610.1021/acs.jpclett.6b00226 ↗
11. 10.1038/s41467-020-20066-710.1038/s41467-020-20066-7 ↗
12. 10.1021/acs.nanolett.6b0445310.1021/acs.nanolett.6b04453 ↗
13. T.Zhu S.Teale L.Grater E. S.Vasileiadou J.Sharir‐Smith B.Chen M. G.Kanatzidis E. H.Sargent arXiv preprint arXiv:2301.126272023.
14. 10.1038/s41467-017-00284-210.1038/s41467-017-00284-2 ↗
15. 10.1021/acs.jpclett.6b0000210.1021/acs.jpclett.6b00002 ↗
16. 10.1021/acs.jpcc.1c0316910.1021/acs.jpcc.1c03169 ↗
17. 10.1021/acsenergylett.1c0079010.1021/acsenergylett.1c00790 ↗
18. 10.1038/s41467-021-23008-z10.1038/s41467-021-23008-z ↗
19. 10.1021/acsenergylett.8b0156210.1021/acsenergylett.8b01562 ↗
20. 10.1038/s41467-018-07438-w10.1038/s41467-018-07438-w ↗
21. 10.1021/acs.nanolett.8b0050510.1021/acs.nanolett.8b00505 ↗
22. 10.1021/acsenergylett.9b0138310.1021/acsenergylett.9b01383 ↗
23. 10.1021/acsenergylett.8b0200210.1021/acsenergylett.8b02002 ↗
24. 10.1038/s41467-019-09047-710.1038/s41467-019-09047-7 ↗
25. 10.1021/accountsmr.2c0007610.1021/accountsmr.2c00076 ↗
26. 10.1021/acsenergylett.7b0028210.1021/acsenergylett.7b00282 ↗
27. 10.1021/acsenergylett.7b0035710.1021/acsenergylett.7b00357 ↗
28. 10.1021/acsenergylett.8b0136910.1021/acsenergylett.8b01369 ↗
29. 10.1038/s41578-021-00331-x10.1038/s41578-021-00331-x ↗
30. 10.1039/C8EE01697F10.1039/C8EE01697F ↗
31. 10.1038/s41563-018-0038-010.1038/s41563-018-0038-0 ↗
32. 10.1002/anie.20200585310.1002/anie.202005853 ↗
33. 10.1016/j.joule.2021.07.01110.1016/j.joule.2021.07.011 ↗
34. 10.1002/aenm.20200293410.1002/aenm.202002934 ↗
35. 10.1021/jacs.9b0456810.1021/jacs.9b04568 ↗
36. 10.1038/s41566-019-0435-110.1038/s41566-019-0435-1 ↗
37. 10.1038/nenergy.2016.19510.1038/nenergy.2016.195 ↗
38. 10.1126/science.aba162810.1126/science.aba1628 ↗
39. 10.1021/acsenergylett.3c0061010.1021/acsenergylett.3c00610 ↗
40. 10.1002/adfm.20180313010.1002/adfm.201803130 ↗
41. 10.1038/nmat401410.1038/nmat4014 ↗
42. Moulder J. F. · Physical Electronics · 1995 · 230
43. 10.1039/b924423a10.1039/b924423a ↗
44. 10.1016/S0277-5387(00)84589-110.1016/S0277-5387(00)84589-1 ↗
45. 10.1021/ic50061a01310.1021/ic50061a013 ↗
46. 10.1039/C8GC01061G10.1039/C8GC01061G ↗
47. 10.1039/C9CP06568G10.1039/C9CP06568G ↗
48. 10.1021/ja01074a01210.1021/ja01074a012 ↗
49. 10.1097/00010694-195210000-0001910.1097/00010694-195210000-00019 ↗
50. 10.1021/acsenergylett.6b0035510.1021/acsenergylett.6b00355 ↗
51. 10.1002/adfm.20220604710.1002/adfm.202206047 ↗
52. 10.1039/D2TA03538C10.1039/D2TA03538C ↗
53. 10.1039/C8EE00124C10.1039/C8EE00124C ↗
54. 10.1002/adma.20221083410.1002/adma.202210834 ↗
55. 10.1021/acsaem.8b0058710.1021/acsaem.8b00587 ↗
56. 10.1021/acsenergylett.9b0160510.1021/acsenergylett.9b01605 ↗
57. 10.1021/nl501299210.1021/nl5012992 ↗
58. 10.1021/acsenergylett.7b0124410.1021/acsenergylett.7b01244 ↗
59. 10.1002/adma.20210999810.1002/adma.202109998 ↗
60. 10.1038/nature2598910.1038/nature25989 ↗
61. 10.1088/0953-8984/21/39/39550210.1088/0953-8984/21/39/395502 ↗
62. 10.1021/acs.jpcc.8b0060210.1021/acs.jpcc.8b00602 ↗
63. 10.1063/1.45346710.1063/1.453467 ↗
64. 10.1021/cg400645t10.1021/cg400645t ↗
65. 10.1103/PhysRevLett.77.386510.1103/PhysRevLett.77.3865 ↗
66. 10.1063/1.338234410.1063/1.3382344 ↗
67. 10.1103/PhysRevB.88.08511710.1103/PhysRevB.88.085117 ↗
68. 10.1016/j.cpc.2018.01.01210.1016/j.cpc.2018.01.012 ↗
69. 10.1063/1.168267310.1063/1.1682673 ↗