Entropy-driven stabilization of the cubic phase of MaPbI<sub>3</sub> at room temperature

Bonadio, Ariany; Escanhoela, C. A.; Sabino, Fernando P.; Sombrio, Guilherme; Paula, V. G. de; Ferreira, Fábio Furlan; Janotti, Anderson; Dalpian, Gustavo M.; Souza, J. A.

doi:10.1039/d0ta10492b

Cited by 44 publications

(44 citation statements)

References 59 publications

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“…A similar trend was observed in the earlier reports. , This abrupt initial loss in PCE could be due to the collective effect of the structural deformation of CTL, a structural defect of the HaP layer, and a CTL/HaP interface of either side under higher thermal stress under the light. , Although a faster degradation rate is expected with an increase in temperature, the degradation rate of the device at 20 °C is higher than at 60 °C. It has been documented that the structural transformation of MAPbI 3 occurs as a function of temperature, thermal stress time, or halide additive. − Besides that, the coexistence of the tetragonal and cubic phases was also observed at room temperature . These reports suggest that more structural defects are formed at a lower temperature ( T ≈ 20 °C) while the structural defects are mitigated at 60 °C to some extent.…”

Section: Results and Discussionsupporting

confidence: 87%

Insights into Accelerated Degradation of Perovskite Solar Cells under Continuous Illumination Driven by Thermal Stress and Interfacial Junction

Khadka

Shirai

Yanagida

et al. 2021

ACS Appl. Energy Mater.

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The operational stability of encapsulated halide perovskite solar cells (HaPSCs) is imperative for their commercialization. Despite improvements in device stability, we lack insights into the irreversible degradation of devices under prolonged illumination and heat stress. Here, we investigated the operational stability of devices (∼1 cm2) made with poly(triaryl amine) (PTAA; power conversion efficiency PCE ≈ 19.32%) and sputtered NiO x (PCE ≈ 15.60%) as a hole-transport layer (HTL) under light (for >1000 h) at 20, 60, and 85 °C to unravel the degradation mechanisms. Degradation of the PTAA device was accelerated by interface deterioration and bulk decomposition initiated by the formation of voids and PbI2 via iodine migration from defective regions at the columnar grain boundaries with the release of I2 gas. The NiO x device, with its immunity to iodine and its moisture-resistive properties, had significantly improved stability with suppression of the HaP bulk degradation by alleviation of internal defect dynamics. Our results corroborate that the formation of voids and PbI2 crystallites at columnar intergrains or at the HTL (ETL) /HaP interface with the release of I2 gas is the primary cause of device degradation. Capacitance–voltage analysis showed that the PTAA device develops a much wider defective interface layer than the NiO x device, driven mainly by the chemical reaction of iodine with the interfacial layer. Thus, our results reveal that although the cracking of columnar intergrains and defective spots in the perovskite bulk is the main origin of device degradation, the nature of the carrier transport layer also partly contributes to catalyzing bulk and interface degradation. Thus, the passivation of columnar intergrain defects in the HaP bulk and lamination of the interface with a chemically inert to iodine and a moisture-resistive carrier-selective layer is crucial to the operational stability of HaPSCs.

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Section: Results and Discussionsupporting

confidence: 87%

Insights into Accelerated Degradation of Perovskite Solar Cells under Continuous Illumination Driven by Thermal Stress and Interfacial Junction

Khadka

Shirai

Yanagida

et al. 2021

ACS Appl. Energy Mater.

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“…This assumption only stands when the two phases of the Cs 3 Cu 2 I 5 scintillator and the MAPbI 3 semiconductor are stable with no phase transition. In order to further explore whether phase separation or ions exchange occurs between MAPbI 3 and Cs 3 Cu 2 I 5 , we performed X‐ray powder diffraction (XRD) measurements of hybrid samples with different mixed ratios, and no unexpected diffraction peak was observed (see Figure S6 , Supporting Information), [ 36 ] indicating that there was no ions exchange or phase transition phenomenon between MAPbI 3 and Cs 3 Cu 2 I 5 . In addition, energy dispersive X‐ray spectroscopy (EDX) results also confirmed that Cs + and Pb 2+ were uniformly distributed in the hybrids, and there was no phase separation (see Figure S7 , Supporting Information).…”

Section: Resultsmentioning

confidence: 99%

Energy Transfer Assisted Fast X‐ray Detection in Direct/Indirect Hybrid Perovskite Wafer

Liu

Feng

et al. 2022

Advanced Science

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Metal halide perovskite scintillators encounter unprecedented opportunities in indirect ionizing radiation detection due to their high quantum yields. However, the long scintillation lifetime of microseconds upon irradiation, known as the afterglow phenomenon, obviously limits their fast development. Here, a new type of hybrid X-ray detector wafer combining direct methylamine lead iodide (MAPbI 3 ) semiconductor and indirect zero-dimensional cesium copper iodide (Cs 3 Cu 2 I 5 ) scintillator through low-cost fast tableting processes is reported. Due to the fast energy transfer from Cs 3 Cu 2 I 5 to MAPbI 3 , the device response time to X-rays is dramatically reduced by nearly 30 times to 36.6 ns, which enables fast X-ray detection capability by a large area detector arrays within 1 s. Moreover, Cs 3 Cu 2 I 5 exists at the grain boundaries of MAPbI 3 crystals, and blocks the paths of mobile ions of perovskite, leading to the lowest detectable dose rate of hybrid X-ray detector is thus reduced by 1.5 times compared with control MAPbI 3 direct-type semiconductor, and 10 times compared with the Cs 3 Cu 2 I 5 indirect-type scintillator. The direct/indirect hybrid wafer also exhibits improved operation stability at ambient conditions without any encapsulation. This new kind of hybrid X-ray detectors provides strong competitiveness by combining the advantages of both direct perovskite semiconductors and indirect perovskite scintillators for next-generation products.

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“…44 It is noteworthy that the stabilization of the cubic structure at lower temperatures with increasing x might be related to the increased entropy of solid solutions, which would be desired for application in optoelectronic devices. 45 The tetragonal-to-cubic phase transition enthalpies for each composition were estimated from the DSC data and are summarized in Fig. 1(d).…”

Section: Resultsmentioning

confidence: 99%

Structure, optoelectronic properties and thermal stability of the triple organic cation GA_xFA_xMA_1−2xPbI₃ system prepared by mechanochemical synthesis

Minussi

Silva

Araújo

2022

Phys. Chem. Chem. Phys.

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Entropy-driven stabilization of the cubic phase of MaPbI₃ at room temperature

Abstract: Methylammonium lead iodide (MAPbI3) is an important light-harvesting semiconducting material for solar-cell devices.

Cited by 44 publications

References 59 publications

Insights into Accelerated Degradation of Perovskite Solar Cells under Continuous Illumination Driven by Thermal Stress and Interfacial Junction

Insights into Accelerated Degradation of Perovskite Solar Cells under Continuous Illumination Driven by Thermal Stress and Interfacial Junction

Energy Transfer Assisted Fast X‐ray Detection in Direct/Indirect Hybrid Perovskite Wafer

Structure, optoelectronic properties and thermal stability of the triple organic cation GA_xFA_xMA_1−2xPbI₃ system prepared by mechanochemical synthesis

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Entropy-driven stabilization of the cubic phase of MaPbI3 at room temperature

Abstract: Methylammonium lead iodide (MAPbI3) is an important light-harvesting semiconducting material for solar-cell devices.

Cited by 44 publications

References 59 publications

Insights into Accelerated Degradation of Perovskite Solar Cells under Continuous Illumination Driven by Thermal Stress and Interfacial Junction

Insights into Accelerated Degradation of Perovskite Solar Cells under Continuous Illumination Driven by Thermal Stress and Interfacial Junction

Energy Transfer Assisted Fast X‐ray Detection in Direct/Indirect Hybrid Perovskite Wafer

Structure, optoelectronic properties and thermal stability of the triple organic cation GAxFAxMA1−2xPbI3 system prepared by mechanochemical synthesis

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Product

Resources

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Entropy-driven stabilization of the cubic phase of MaPbI₃ at room temperature

Structure, optoelectronic properties and thermal stability of the triple organic cation GA_xFA_xMA_1−2xPbI₃ system prepared by mechanochemical synthesis