Ion Migration in Metal Halide Perovskites Solar Cells

Khan, Rahmatullah; Ighodalo, Kester O.; Xiao, Zhengguo

doi:10.1063/9780735422414_003

Cited by 5 publications

(6 citation statements)

References 75 publications

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“…The iodide migration accelerates the degradation process of the perovskite layer. 41,42 It also affects the TiO 2 and Spiro-OMeTAD layers, resulting in changes in the initial band alignment and the collapse of the device structure. 43 In addition to this passivation effect from the TMD interlayers, the structural strain inside the PSCs is expected to be released by the layered structure of the TMD materials.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

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Improved Stability of MAPbI₃Perovskite Solar Cells Using Two-Dimensional Transition-Metal Dichalcogenide Interlayers

Kim

et al. 2022

ACS Appl. Mater. Interfaces

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Perovskite solar cells (PSCs) have been receiving considerable attention as next-generation solar cells. However, their short lifetime is a major obstacle to their commercialization. In addition to the properties of the materials used in PSCs, their interfaces play an important role in device stability by maintaining their initial design. In this study, we developed a transition-metal dichalcogenide (TMD) as a stable and efficient interlayer. MoS 2 and WSe 2 were applied to both the hole and electron transport sides of the PSCs with general FTO/TiO 2 /MAPbI 3 /Spiro-OMeTAD/Au structures, respectively. Owing to efficient charge transfer by TMD interlayers, our PSCs achieved a 19.24% efficiency, which is higher than the efficiency of the control devices (18.22%). Furthermore, the device stability was markedly improved by the passivation and strain-release effects of the TMD interlayers. Thus, the PSCs with TMD interlayers demonstrated a stable performance over 1000 h under damp heat (85 °C and 85% relative humidity) conditions.

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Section: ■ Results and Discussionmentioning

confidence: 99%

“…Additionally, the migration of iodide ions in MAPbI 3 perovskite is prevented by the TMD interlayers. The iodide migration accelerates the degradation process of the perovskite layer. , It also affects the TiO 2 and Spiro-OMeTAD layers, resulting in changes in the initial band alignment and the collapse of the device structure …”

Section: Resultsmentioning

confidence: 99%

Improved Stability of MAPbI₃Perovskite Solar Cells Using Two-Dimensional Transition-Metal Dichalcogenide Interlayers

Kim

et al. 2022

ACS Appl. Mater. Interfaces

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“…Despite many advantages, several external factors, such as air, moisture [202], UV light [47,203], heat, light soaking [204], and partially also radiation [205,206], induce considerable structural instabilities in HOIPs. An intrinsic instability is also present, caused by a relatively weak cohesion between the organic cation and the inorganic octahedra and predominantly by the low-energy barriers for the migration of halide anions and organic cations, with halide migration being the most prevalent [201,[207][208][209][210]. Phase segregation can be induced by large-scale ion migration [211].…”

Section: Niel For Protons and Electrons In Gaas For Different Values ...mentioning

confidence: 99%

Modeling Radiation Damage in Materials Relevant for Exploration and Settlement on the Moon

Koval¹,

Gu²,

Muñoz‐Santiburcio³

et al. 2022

Lunar Science - Habitat and Humans

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Understanding the effect of radiation on materials is fundamental for space exploration. Energetic charged particles impacting materials create electronic excitations, atomic displacements, and nuclear fragmentation. Monte Carlo particle transport simulations are the most common approach for modeling radiation damage in materials. However, radiation damage is a multiscale problem, both in time and in length, an aspect treated by the Monte Carlo simulations only to a limited extent. In this chapter, after introducing the Monte Carlo particle transport method, we present a multiscale approach to study different stages of radiation damage which allows for the synergy between the electronic and nuclear effects induced in materials. We focus on cumulative displacement effects induced by radiation below the regime of hadronic interactions. We then discuss selected studies of radiation damage in materials of importance and potential use for the exploration and settlement on the Moon, ranging from semiconductors to alloys and from polymers to the natural regolith. Additionally, we overview some of the novel materials with outstanding properties, such as low weight, increased radiation resistance, and self-healing capabilities with a potential to reduce mission costs and improve prospects for extended human exploration of extraterrestrial bodies.

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“…Intrinsic instability causing unavoidable decomposition with time has also been reported . The instability is mainly caused by a relatively weak cohesion between the organic cation and the inorganic octahedra and predominantly by the low energy barriers for the migration of halide anions and organic cations, with halide migration being the most prevalent. − Nevertheless, the (short-term) performance of HOIP-based solar cells is considerably defect tolerant. Density functional theory (DFT) calculations based on hybrid functionals with spin-orbit coupling have shown that the majority of the defects induce only shallow defect states near the band edges , and that although iodine interstitials create deep levels in the gap of MAPbI 3 , , these only leave short-living hole traps. , Still, there remain unwanted effects in the carrier dynamics, I – V hysteresis, and chemical degradation of the HOIP and at the interfaces with the charge transport layers.…”

Section: Introductionmentioning

confidence: 99%

Molecular Bond Engineering and Feature Learning for the Design of Hybrid Organic–Inorganic Perovskite Solar Cells with Strong Noncovalent Halogen–Cation Interactions

Teunissen

Pieve

2021

J. Phys. Chem. C

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Hybrid organic–inorganic perovskites are exceedingly interesting candidates for new solar energy technologies for both ground-based and space applications. However, their large-scale production is hampered by the lack of long-term stability, mostly associated with ion migration. The specific role of noncovalent bonds in contributing to the stability remains elusive, and in certain cases controversial. Here, we perform an investigation on a large perovskite chemical space via a combination of first-principles calculations for the bond strengths and the recently developed sure independent screening and sparsifying operator (SISSO) algorithm. The latter is used to formulate mathematical descriptors that, by highlighting the importance of specific noncovalent molecular bonds, can guide the design of perovskites with suppressed ion migration. The results unveil the distinct nature of different noncovalent interactions, with remarkable differences compared to previous arguments and interpretations in the literature on the basis of smaller chemical spaces. In particular, we clarify the origin of the higher stability offered by formamidinium compared to methylammonium, which shows to be different from previous arguments in the literature, and the reasons for the improved stability given by the halogen F and explain the exceptional case of overall stronger bonds for guanidiunium. Within the stability boundaries given by the Goldschmidt factor, the found descriptors give an all-in-one picture of noncovalent interactions which provide more stable configurations, also including interactions other than H bonds. Such descriptors are more informative than previously used quantities and can be used as a universal input to better inform new machine learning studies.

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Ion Migration in Metal Halide Perovskites Solar Cells

Cited by 5 publications

References 75 publications

Improved Stability of MAPbI₃Perovskite Solar Cells Using Two-Dimensional Transition-Metal Dichalcogenide Interlayers

Improved Stability of MAPbI₃Perovskite Solar Cells Using Two-Dimensional Transition-Metal Dichalcogenide Interlayers

Modeling Radiation Damage in Materials Relevant for Exploration and Settlement on the Moon

Molecular Bond Engineering and Feature Learning for the Design of Hybrid Organic–Inorganic Perovskite Solar Cells with Strong Noncovalent Halogen–Cation Interactions

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Ion Migration in Metal Halide Perovskites Solar Cells

Cited by 5 publications

References 75 publications

Improved Stability of MAPbI3Perovskite Solar Cells Using Two-Dimensional Transition-Metal Dichalcogenide Interlayers

Improved Stability of MAPbI3Perovskite Solar Cells Using Two-Dimensional Transition-Metal Dichalcogenide Interlayers

Modeling Radiation Damage in Materials Relevant for Exploration and Settlement on the Moon

Molecular Bond Engineering and Feature Learning for the Design of Hybrid Organic–Inorganic Perovskite Solar Cells with Strong Noncovalent Halogen–Cation Interactions

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Improved Stability of MAPbI₃Perovskite Solar Cells Using Two-Dimensional Transition-Metal Dichalcogenide Interlayers

Improved Stability of MAPbI₃Perovskite Solar Cells Using Two-Dimensional Transition-Metal Dichalcogenide Interlayers