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Domain-Size-Dependent Residual Stress Governs the Phase-Transition and Photoluminescence Behavior of Methylammonium Lead Iodide
Authors:Kwang Jae Lee  Bekir Turedi  Andrea Giugni  Muhammad Naufal Lintangpradipto  Ayan A Zhumekenov  Abdullah Y Alsalloum  Jung-Hong Min  Ibrahim Dursun  Rounak Naphade  Somak Mitra  Iman S Roqan  Boon S Ooi  Omar F Mohammed  Enzo Di Fabrizio  Namchul Cho  Osman M Bakr
Institution:1. Physical Science and Engineering (PSE) Division, King Abdullah University of Science and Technology (KAUST), Thuwal, 23955-6900 Kingdom of Saudi Arabia;2. Physical Science and Engineering (PSE) Division, King Abdullah University of Science and Technology (KAUST), Thuwal, 23955-6900 Kingdom of Saudi Arabia

KAUST Catalysis Center (KCC), King Abdullah University of Science and Technology (KAUST), Thuwal, 23955-6900 Kingdom of Saudi Arabia;3. Division of Computer, Electrical and Mathematical Sciences and Engineering, King Abdullah University of Science and Technology (KAUST), Thuwal, 23955-6900 Kingdom of Saudi Arabia

Photonics Laboratory, King Abdullah University of Science and Technology (KAUST), Thuwal, 23955-6900 Kingdom of Saudi Arabia;4. Division of Computer, Electrical and Mathematical Sciences and Engineering, King Abdullah University of Science and Technology (KAUST), Thuwal, 23955-6900 Kingdom of Saudi Arabia;5. Physical Science and Engineering (PSE) Division, King Abdullah University of Science and Technology (KAUST), Thuwal, 23955-6900 Kingdom of Saudi Arabia

Department of Applied Science and Technology, Politecnico di Torino, Torino, 10129 Italy;6. Department of energy systems engineering, Soonchunhyang University, Asan, 31538 South Korea

Abstract:Methylammonium lead iodide (MAPbI3) perovskite has garnered significant interest as a versatile material for optoelectronic applications. The temperature-dependent photoluminescence (TDPL) and phase-transition behaviors revealed in previous studies have become standard indicators of defects, stability, charge carrier dynamics, and device performance. However, published reports abound with examples of irregular photoluminescence and phase-transition phenomena that are difficult to reconcile, posing major challenges in the correlation of those properties with the actual material state or with the subsequent device performance. In this paper, a unifying explanation for the seemingly inconsistent TDPL and phase-transition (orthorhombic-to-tetragonal) characteristics observed for MAPbI3 is presented. By investigating MAPbI3 perovskites with varying crystalline states, ranging from polycrystal to highly oriented crystal as well as single-crystals, key features in the TDPL and phase-transition behaviors are identified that are related to the extent of crystal domain-size-dependent residual stress and stem from the considerable volume difference (ΔV ≈ 4.5%) between the primitive unit cells of the orthorhombic (at 80 K) and tetragonal phases (at 300 K) of MAPbI3. This fundamental connection is essential for understanding the photophysics and material processing of soft perovskites.
Keywords:domain size  MAPbI 3  perovskites  photoluminescence  residual stress
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