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Halide perovskites have emerged as promising materials for next-generation photovoltaics, laser sources and X-ray detectors. There is intense debate as to whether some photoactive halide perovskites exhibit ferroelectric behaviour and…

材料科学 · 物理学 2026-01-21 Weilun Li , Qimu Yuan , Michael B. Johnston , Joanne Etheridge

This paper presents the phase stability, opto-electronic and thermo-electric behavior of X2AuYZ6 (X = Cs, Rb; Z = Cl/Br/I) double perovskite halides by using the DFT method. The compounds belong to the cubic arrangement and are verified by…

材料科学 · 物理学 2024-04-25 S. Mahmud , M. A. Ali , M. M. Hossain , M. M. Uddin

The phase transitions between the various polymorphs of FAPbI$_{3}$ (FAPI, FA = formamidinium CH(NH$_{2}$)$_{2}^+$) are studied by anelastic, dielectric and X--ray diffraction measurements on samples pressed from $\delta -$FAPI (2H phase)…

Ionic migration in organo-halide perovskites plays an important role in operation of perovskite based solar cells and light emitting diodes. Despite the ionic migration being a reversible process, it often leads to worsening of perovskite…

Hybrid organic-inorganic halide perovskites for photovoltaics have attracted research interest due to their unique material properties, but suffered from poor material stability. In this work, we investigated the surface phase diagrams of…

应用物理 · 物理学 2021-09-30 Yun-Sim Kim , Chol-Hyok Ri , Yun-Hyok Kye , Un-Gi Jong , Chol-Jun Yu

One of the main challenges for perovskite solar cells (PSC) is their stability, due to environment-induced perovskite decomposition. The resulting decomposition compounds are mobile and may, therefore, react with charge carrier extraction…

应用物理 · 物理学 2019-09-30 Svetlana Sirotinskaya , Roland Schmechel , Niels Benson

Hybrid organic-inorganic halide perovskites with the prototype material of CH$_{3}$NH$_{3}$PbI$_{3}$ have recently attracted intense interest as low-cost and high-performance photovoltaic absorbers. Despite the high power conversion…

材料科学 · 物理学 2017-05-30 Xin-Gang Zhao , Ji-Hui Yang , Yuhao Fu , Dongwen Yang , Qiaoling Xu , Liping Yu , Su-Huai Wei , Lijun Zhang

Alloy-based perovskite solar cells offer tunable properties and improved stability, but their complexity has impeded accurate modeling, hindering development. We present a machine-learning (ML) accelerated atomistic modeling approach for…

材料科学 · 物理学 2026-05-29 Jarno Laakso , Armi Tiihonen , Patrick Rinke

Perovskite solar cells (PSCs) with superior performance have been recognized as a potential candidate in photovoltaic technologies. However, the defects in active perovskite layer induce non-radiative recombination which restricts the…

Halide perovskite-based photodiodes are promising for efficient detection across a broad spectral range. Perovskite absorber thin-films have a microcrystalline morphology, characterized by a high density of surface states and defects at…

Halide perovskites belong to an important family of semiconducting materials with unique electronic properties that enable a myriad of applications, especially in photovoltaics and optoelectronics. Their optical properties, including…

The organic-inorganic hybrid perovskite CH3NH3PbI3 has attracted significant interest for its high performance in converting solar light into electrical power with an efficiency exceeding 20%. Unfortunately, chemical stability is one major…

材料科学 · 物理学 2018-03-02 Yue-Yu Zhang , Shiyou Chen , Peng Xu , Hongjun Xiang , Xin-Gao Gong , Aron Walsh , Su-Huai Wei

Hybrid perovskites with mixed organic cations such as methylammonium and formamidinium have attracted interest due to their improved stability and capability to tune their properties varying the composition. In this work we report on the…

材料科学 · 物理学 2021-04-09 Maximiliano Senno , Silvia Tinte

Inorganic cesium lead iodide (CsPbI$_3$) perovskite solar cells (PSCs) have attracted enormous attention due to their excellent thermal stability and optical bandgap (~1.73 eV), well-suited for tandem device applications. However, achieving…

The commercialization of perovskite solar cells is hindered by the poor long-term stability of the metal halide perovskite (MHP) light absorbing layer. Solution processing, the common fabrication method for MHPs, produces polycrystalline…

材料科学 · 物理学 2026-04-28 Mike Pols , Tobias Hilpert , Ivo Filot , Adri C. T. van Duin , Sofía Calero , Shuxia Tao

The 2D/3D construction of hybrid perovskite interfaces is gaining increasing attention due to their enhanced stability towards degradation without compromising the corresponding solar cell efficiency. Much of it is due to the interfacial…

材料科学 · 物理学 2025-07-17 Hrishit Banerjee , Md. Khaja Nazeeruddin , Sudip Chakraborty

Halide perovskites have attracted increasing research attention regarding their outstanding optoelectronic applications. Owing to its low activation energy, ion migration is implicated in the long-term stability and many unusual transport…

应用物理 · 物理学 2020-12-02 Qiao Kong , Amael Obliger , Minliang Lai , Mengyu Gao , David T. Limmer , Peidong Yang

Mixed-anion mixed-cation perovskites with (FAPbI$_3$)$_{1-x}$(MAPbBr$_3$)$_x$ composition have allowed record efficiencies in photovoltaic solar cells, but their atomic-scale behaviour is not well understood yet, in part because their…

Interface engineering is one of the promising strategies for the long-term stabilization of perovskite solar cells, preventing chemical decomposition induced by external agents and promoting fast charge transfer. Recently, MXenes-2D…

FAPbI3, as a typical hybrid organic-inorganic perovskite, has attracted considerable interest due to its band gap suitable for visible light absorption and good thermal stability. A barrier to the use of FAPbI3 in commercial, stable devices…

材料科学 · 物理学 2022-01-17 Junwen Yin , Gilberto Teobaldi , Li-Min Liu