Strain engineering and epitaxial stabilization of halide perovskites

Chen, Yimu; Lei, Yusheng; Li, Yuheng; Yu, Yugang; Cai, Jinze; Chiu, Ming‐Hui; Rao, Rahul; Gu, Yue; Wang, Chunfeng; Choi, Woojin; Hu, Hongjie; Wang, Chonghe; Li, Yang; Song, Jiawei; Zhang, Jingxin; Qi, Baiyan; Lin, Muyang; Zhang, Zhuorui; Islam, Ahmad E.; Maruyama, Benji; Dayeh, Shadi A.; Li, Lain‐Jong; Yang, Kesong; Lo, Yu‐Hwa; Xu, Sheng

doi:10.1038/s41586-019-1868-x

Cited by 437 publications

(542 citation statements)

References 44 publications

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“…For example, strained epitaxy is also shown to have a substantial stabilization effect on the perovskite phase owing to the synergistic effects of epitaxial stabilization and strain neutralization. [29] Metal oxide nanomaterials with the high hardness as main media of CMP have been extensively used to smooth the surface of silicon wafers in integrated circuit manufacturing, which can polish high hardness materials to produce high activity surface. Therefore, the metal oxides NPs as "balls" of milling can provide high mechanical energy to interact with the surface atoms of perovskite NCs in the synthetic process of ball-grinding or ball-milling.…”

Section: Resultsmentioning

confidence: 99%

Nano Ball‐Milling Using Titania Nanoparticles to Anchor Cesium Lead Bromine Nanocrystals and Energy Transfer Characteristics in TiO₂@CsPbBr₃ Architecture

Liu

Yang

Chen

et al. 2020

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Recently, all-inorganic halide perovskite (CsPbX 3 , (X = Cl, Br, and I)) nanocrystals (NCs) based hybrid architectures have attracted extensive attention owing to their distinct luminescence characteristics. However, due to stress and lattice mismatch, it is still a challenge to construct heterojunctions between perovskite NCs and the nanostructures with different lattice parameters and non-cubic contour. In this work, a room temperature mechanochemical method is presented to construct TiO 2 @CsPbBr 3 hybrid architectures, in which TiO 2 nanoparticles (NPs) with a hard lattice as nano "balls" mill off the angles and anchor to the CsPbBr 3 NCs with a soft lattice. On the contrary, to ball-mill without TiO 2 or with conventional ceramics balls replacing TiO 2 , CsPbBr 3 NCs still maintain cubic contour deriving from their cubic crystal structures. Moreover, the TiO 2 @CsPbBr 3 architectures display distinct improvement of photoluminescence quantum yields and more excellent thermal stability in contrast with pristine CsPbBr 3 owing to the passivation of surface defect, small surface area, and energy transfer from CsPbBr 3 to TiO 2. Meanwhile, there is distinct luminous decay characteristic under the radiation of UV and visible light due to the "on" and "off" TiO 2 response. The method provides an alternative strategy to acquire other anchoring heterojunctions based on perovskite NCs for further regulating their luminescent characteristics.

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Section: Resultsmentioning

confidence: 99%

Nano Ball‐Milling Using Titania Nanoparticles to Anchor Cesium Lead Bromine Nanocrystals and Energy Transfer Characteristics in TiO₂@CsPbBr₃ Architecture

Liu

Yang

Chen

et al. 2020

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“…Inorganic transporting underlays such as TiO 2 , [6] ZnO, [7] SnO 2 , [8] and NiO [9] are commonly employed as heterogeneous substrates for perovskite films formation, which inevitably results in an interface with nonideal compatibility, and the unsatisfied interconnection are disastrous for carrier collection. [10] More importantly, less matched crystal structure and inconsistent thermal expansion of rigid lattice units in each sides are detrimental to microstructure of perovskite. In molecular level, poor phase stability induced by strain accumulation effect has been demonstrated in perovskite materials, simultaneously, unreleasable lattice stress is also the reason for accelerated materials degeneration.…”

Section: Doi: 101002/adma202001479mentioning

confidence: 99%

“…In molecular level, poor phase stability induced by strain accumulation effect has been demonstrated in perovskite materials, simultaneously, unreleasable lattice stress is also the reason for accelerated materials degeneration. [10] Moreover, such heterogeneous interface with intrinsic structurebrittleness is inherently fragile once suffering from mechanical deformation. All these issues are key bottlenecks which restrict the devices' stability and its flexible application.…”

Section: Doi: 101002/adma202001479mentioning

confidence: 99%

Perovskite Films with Reduced Interfacial Strains via a Molecular‐Level Flexible Interlayer for Photovoltaic Application

et al. 2020

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Interface strains and lattice distortion are inevitable issues during perovskite crystallization. Silane as a coupling agent is a popular connector to enhance the compatibility between inorganic and organic materials in semiconductor devices. Herein, a protonated amine silane coupling agent (PASCA‐Br) interlayer between TiO2 and perovskite layers is adopted to directionally grasp both of them by forming the structural component of a lattice unit. The pillowy alkyl ammonium bromide terminals at the upper side of the interlayer provide well‐matched growth sites for the perovskite, leading to mitigated interface strain and ensuing lattice distortion; meanwhile, its superior chemical compatibility presents an ideal effect on healing the under‐coordinated Pb atoms and halogen vacancies of bare perovskite crystals. The PASCA‐Br interlayer also serves as a mechanical buffer layer, inducing less cracked perovskite film when bending. The developed molecular‐level flexible interlayer provides a promising interfacial engineering for perovskite solar cells and their flexible application.

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“…In addition to the extensively studied materials interfaces between the hybrid halide perovskites and TiO 2 , it is noted that the materials heterointerfaces between the classical inorganic perovskite oxides such as SrTiO 3 and TiO 2 has also attracted increasing attention because of the emerging interfacial properties and/or enhanced functionalities [23,197]. One major consideration is that the formed heterointerface has a better stability compared to the isolated bulk materials [23,198]. In 2017, Kitchin's research team explored the possibility to stabilize the epitaxial thin films of anatase and rutile TiO 2 on perovskite (Sr/Ba)TiO 3 by studying relevant bulk and interface energy terms using first-principles calculations [23].…”

Section: Tio 2 /Perovskite Interfacementioning

confidence: 99%

Review of First-Principles Studies of TiO2: Nanocluster, Bulk, and Material Interface

2020

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TiO2 has extensive applications in the fields of renewable energy and environmental protections such as being used as photocatalysts or electron transport layers in solar cells. To achieve highly efficient photocatalytic and photovoltaic applications, ongoing efforts are being devoted to developing novel TiO2-based material structures or compositions, in which a first-principles computational approach is playing an increasing role. In this review article, we discuss recent computational and theoretical studies of structural, energetic, electronic, and optical properties of TiO2-based nanocluster, bulk, and material interface for photocatalytic and photovoltaic applications. We conclude the review with a discussion of future research directions in the field.

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Strain engineering and epitaxial stabilization of halide perovskites

Cited by 437 publications

References 44 publications

Nano Ball‐Milling Using Titania Nanoparticles to Anchor Cesium Lead Bromine Nanocrystals and Energy Transfer Characteristics in TiO₂@CsPbBr₃ Architecture

Nano Ball‐Milling Using Titania Nanoparticles to Anchor Cesium Lead Bromine Nanocrystals and Energy Transfer Characteristics in TiO₂@CsPbBr₃ Architecture

Perovskite Films with Reduced Interfacial Strains via a Molecular‐Level Flexible Interlayer for Photovoltaic Application

Review of First-Principles Studies of TiO2: Nanocluster, Bulk, and Material Interface

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Strain engineering and epitaxial stabilization of halide perovskites

Cited by 437 publications

References 44 publications

Nano Ball‐Milling Using Titania Nanoparticles to Anchor Cesium Lead Bromine Nanocrystals and Energy Transfer Characteristics in TiO2@CsPbBr3 Architecture

Nano Ball‐Milling Using Titania Nanoparticles to Anchor Cesium Lead Bromine Nanocrystals and Energy Transfer Characteristics in TiO2@CsPbBr3 Architecture

Perovskite Films with Reduced Interfacial Strains via a Molecular‐Level Flexible Interlayer for Photovoltaic Application

Review of First-Principles Studies of TiO2: Nanocluster, Bulk, and Material Interface

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Nano Ball‐Milling Using Titania Nanoparticles to Anchor Cesium Lead Bromine Nanocrystals and Energy Transfer Characteristics in TiO₂@CsPbBr₃ Architecture

Nano Ball‐Milling Using Titania Nanoparticles to Anchor Cesium Lead Bromine Nanocrystals and Energy Transfer Characteristics in TiO₂@CsPbBr₃ Architecture