Self-Healing Beyond Molecular Iodine Locking in Formamidinium Lead Triiodide Perovskites

Liangyu Zhao; Yi Chi; Zijin Wu; Jaewang Park; Jongbeom Kim; Yue Qiang; Huaiman Cao; Shouye Dai; Yulong Chen; Geert Brocks; Licheng Sun; Sang Il Seok; Shuxia Tao; Ze Yu

doi:10.1021/acsenergylett.6c00150

journal article·2026-03-13

Self-Healing Beyond Molecular Iodine Locking in Formamidinium Lead Triiodide Perovskites

Liangyu Zhao, Yi Chi, Zijin Wu, Jaewang Park, Jongbeom Kim, Yue Qiang, Huaiman Cao, Shouye Dai, Yulong Chen, Geert Brocks, Licheng Sun, Sang Il Seok, Shuxia Tao, Ze Yu

ACS Energy Letters· Volume 11· Issue 3

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Source abstract

Abstract

Iodide-based perovskites commonly undergo irreversible decomposition under operational conditions due to molecular iodine (I 2 ) generation, severely impacting device longevity. In this study, we introduce 1,4-dithiane (DT) as an efficient molecular iodine locking (MIL) agent at grain boundaries and surfaces of formamidinium lead triiodide (FAPbI 3 ) perovskite absorbers. The incorporation of DT not only minimizes iodine evaporation through robust S···I halogen bonding but also facilitates the dissociation of I–I bonds, enabling dynamic self-healing of the δ-phase into the photoactive α-phase of FAPbI 3 at room temperature. This “self-healing beyond MIL” mechanism ensures exceptional device stability under continuous light soaking (ISOS-L-1I), light–dark cycling (ISOS-LC-1I), and damp-heat stress (ISOS-D-3), with PSCs retaining >95% of their initial performance for 1000 h. The established iodine cycling process─comprising iodine capture, iodide regeneration, and vacancy backfilling─substantially enhances perovskite durability. Overall, this strategy presents a promising pathway for advancing robust PSCs and other iodine-sensitive optoelectronic devices.

Source: openalex_inverted_index · Quality: baseline

Research context

Electronic materials

OpenAlex topics: Perovskite Materials and Applications · Layered Double Hydroxides Synthesis and Applications · Covalent Organic Framework Applications

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

Affiliations

State Key Laboratory of Fine Chemicals, Frontiers Science Center for Smart Materials Oriented Chemical Engineering, School of Chemical Engineering

Dalian University of Technology

Department of Applied Physics and Science Education

Eindhoven University of Technology

Department of Energy and Chemical Engineering, Ulsan National Institute of Science and Technology (UNIST), 50 UNIST-Gil, Eonyang-eup, Ulju-gun, Ulsan 44919, Republic of Korea

Computational Chemical Physics, Faculty of Science and Technology and MESA+ Institute for Nanotechnology

University of Twente

Center of Artificial Photosynthesis for Solar Fuels and Department of Chemistry, School of Science

Westlake University

Funding

National Key Research and Development Program of China · Fundamental Research Funds for the Central Universities · National Natural Science Foundation of China · Nederlandse Organisatie voor Wetenschappelijk Onderzoek

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