TY - JOUR

T1 - Manipulating the phase stability of a halide perovskite, CH3NH3PbI3 by high-pressure cycling

AU - Morozova, Natalia

AU - Zhevstovskikh, Irina

AU - Korobeinikov, Igor

AU - Sarychev, Maksim

AU - Semenova, Olga

AU - Ovsyannikov, Sergey

N1 - Текст о финансировании This research was carried out within the state assignment No. 122021000039-4 (theme “Electron”) and partial supported by the Ministry of Science and Higher Education of the Russian Federation (through the basic part of the government mandate, project No. FEUZ-2023-0013 and program of strategic academic leadership “Priority 2030″).

PY - 2024

Y1 - 2024

N2 - Methylammonium lead iodide perovskite, CH3NH3PbI3 (MAPbI3) is a highly promising photovoltaic material, whose structural and electronic properties are very sensitive to applied stresses. Here, we show that the phase stability of a MAPbI3 crystal can be controlled by structural defects and strains. We synthesized a single crystal of MAPbI3 and measured its electrical properties across two successive structural phase transitions under applied pressure up to 4–9 GPa under multiple high-pressure cycling. We revealed three types of effects of this high-pressure treatment. (i) An increasing the level of defects and strains in the crystal greatly delays the first reconstructive phase transition, conserving the ambient-pressure tetragonal phase up to a record pressure of ∼1.4 GPa, much higher compared to its typical stability range of up to 0.3–0.5 GPa only. (ii) A time exposure of the crystal at a fixed pressure corresponding to the beginning of the second phase transition to a “destabilized” structure eliminated some of defects and strains; it down-shifted the phase boundaries back. (iii) A recrystallization of the sample after pressure-induced amorphization enhanced its structural stability against amorphization upon subsequent pressurization cycle. We proposed that the most abundant defects and strains, which could appear in the pressure-cycled MAPbI3 crystals, were related to migration of iodine atoms from their regular sites to the MA interstices. Temperature-dependent photoluminescence measurements indicated that the sample recovered after the high-pressure cycling crystallized back into the initial tetragonal crystal structure. Whereas, its stability range expanded toward lower temperatures by 20 K and a band gap slightly increased, from 1.59 to 1.625 eV (at 290 K). Using this organic-inorganic perovskite as an example, we show how the phase stability of such materials can be manipulated by creation and elimination of structural defects and local strains. © 2024 Elsevier B.V.

AB - Methylammonium lead iodide perovskite, CH3NH3PbI3 (MAPbI3) is a highly promising photovoltaic material, whose structural and electronic properties are very sensitive to applied stresses. Here, we show that the phase stability of a MAPbI3 crystal can be controlled by structural defects and strains. We synthesized a single crystal of MAPbI3 and measured its electrical properties across two successive structural phase transitions under applied pressure up to 4–9 GPa under multiple high-pressure cycling. We revealed three types of effects of this high-pressure treatment. (i) An increasing the level of defects and strains in the crystal greatly delays the first reconstructive phase transition, conserving the ambient-pressure tetragonal phase up to a record pressure of ∼1.4 GPa, much higher compared to its typical stability range of up to 0.3–0.5 GPa only. (ii) A time exposure of the crystal at a fixed pressure corresponding to the beginning of the second phase transition to a “destabilized” structure eliminated some of defects and strains; it down-shifted the phase boundaries back. (iii) A recrystallization of the sample after pressure-induced amorphization enhanced its structural stability against amorphization upon subsequent pressurization cycle. We proposed that the most abundant defects and strains, which could appear in the pressure-cycled MAPbI3 crystals, were related to migration of iodine atoms from their regular sites to the MA interstices. Temperature-dependent photoluminescence measurements indicated that the sample recovered after the high-pressure cycling crystallized back into the initial tetragonal crystal structure. Whereas, its stability range expanded toward lower temperatures by 20 K and a band gap slightly increased, from 1.59 to 1.625 eV (at 290 K). Using this organic-inorganic perovskite as an example, we show how the phase stability of such materials can be manipulated by creation and elimination of structural defects and local strains. © 2024 Elsevier B.V.

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U2 - 10.1016/j.jallcom.2024.174305

DO - 10.1016/j.jallcom.2024.174305

M3 - Article

VL - 988

SP - 174305

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

SN - 0925-8388

ER -