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相关论文: Large Thermal Motion in Halide Perovskites

200 篇论文

Atomic dynamics takes a fundamental part in numbers of physical properties of solids like high-Tc superconductivity, semiconducting transports, and thermoelectricity. Perovskite CH3NH3PbI3 exhibits outstanding photovoltaic performances, but…

Lead halide perovskite semiconductors are soft, polar, materials. The strong driving force for polaron formation (the dielectric electron-phonon coupling) is balanced by the light band effective-masses, leading to a strongly-interacting…

材料科学 · 物理学 2017-11-15 Jarvist Moore Frost

Perovskite Solar Cells (PSCs) have garnered global research interest owing to their superior photovoltaic (PV) performance. The future of photovoltaic technology lies in PSCs since they can produce power with performance on par with the…

材料科学 · 物理学 2025-09-18 Arghya Paul , Kanak Raj , Prince Raj Lawrence Raj , Pratim Kumar

We have developed a multi-scale model for organic-inorganic hybrid perovskites (HPs) that applies quantum mechanical (QM) calculations of small HP supercell models to large coarse-grained structures. With a mixed quantum-classical hopping…

材料科学 · 物理学 2018-10-12 Jari Järvi , Jingrui Li , Patrick Rinke

Metal halide perovskites possess many physical properties amenable to optoelectronic applications, whereas the realization of these potentials has been hampered by their environmental and electronic instabilities. The morphological and…

Passivating defects and restricting defect mobilities in halide perovskites to increase device lifetimes has become a main field of research. Modeling structure and mobility of point defects is an essential contribution to this endeavor. We…

材料科学 · 物理学 2026-05-07 Viren Tyagi , Geert Brocks , Shuxia Tao

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

The efficiency and stability of halide perovskite-based solar cells and light-emitting diodes directly depend on the intricate dynamics of solid-solid crystallization[1-23]. In this study, we employ a multi-scale approach using random phase…

材料科学 · 物理学 2024-04-09 Paramvir Ahlawat

Organic-inorganic hybrid perovskites (OIHPs) have attracted extensive research interest as a promising candidate for efficient and inexpensive solar cells. Transmission electron microscopy characterizations that can benefit the fundamental…

Metal halide perovskites (MHPs) combine extraordinary optoelectronic properties with chemical and mechanical properties not found in their semiconductor counterparts. For instance, they exhibit optoelectronic properties on par with…

应用物理 · 物理学 2023-04-20 Bryan A. Rosales , Kelly Schutt , Joseph J. Berry , Lance M. Wheeler

Halide perovskites have emerged as one of the most interesting materials for optoelectronic applications due to their favorable properties, such as defect-tolerance and long charge carrier lifetimes, which are attributed to their dynamic…

材料科学 · 物理学 2023-11-20 Julia Wiktor , Erik Fransson , Dominik Kubicki , Paul Erhart

My study is about Halide Perovskites (HaPs) and focuses the fundamental structural, chemical and dielectric properties of HaPs in reference to their PV-related properties. * I present my main research model: HaP single-crystals - their…

材料科学 · 物理学 2018-10-01 Yevgeny Rakita , David Cahen , Gary Hodes

Metal halide perovskites exhibit a materials physics that is distinct from traditional inorganic and organic semiconductors. While materials such as CH3NH3PbI3 are non-magnetic, the presence of heavy elements (Pb and I) in a…

We report on the temperature dependence of thermal conductivity of single crystalline and polycrystalline organometallic perovskite CH3NH3PbI3. The comparable absolute values and temperature dependence of the two sample's morphologies…

The family of organic-inorganic tri-halide perovskites including MA (MethylAmmonium)PbI$_{3}$, MAPbI$_{3-x}$Cl$_{x}$, FA (FormAmidinium)PbI$_{3}$ and FAPbBr$_{3}$ are having a tremendous impact on the field of photovoltaic cells due to…

Organic-inorganic hybrid perovskite architecture could serve as a robust platform for materials design to realize functionalities beyond photovoltaic applications. We explore caloric effects in organometal halide perovskites, taking…

材料科学 · 物理学 2016-04-21 Shi Liu , Ronald E. Cohen

Methylammonium lead iodide (CH3NH3PbI3) based solar cells have shown impressive power conversion efficiencies of above 20%. However, the microscopic mechanism of the high photovoltaic performance is yet to be fully understood. Particularly,…

材料科学 · 物理学 2016-01-20 T. Chen , B. J. Foley , B. Ipek , M. Tyagi , J. R. D. Copley , C. M. Brown , J. J. Choi , S. -H. Lee

Distinct shortcomings of individual halide perovskites for solar applications, such as restricted range of band gaps, propensity of ABX3 to decompose into AX+BX2, or oxidation of 2ABX3 into A2BX6 have led to the need to consider alloys of…

材料科学 · 物理学 2018-12-31 Gustavo M. Dalpian , Xingang Zhao , Lawrence Kazmerski , Alex Zunger

Halide perovskite (HaP) semiconductors are revolutionizing photovoltaic (PV) solar energy conversion by showing remarkable performance of solar cells made with esp. tetragonal methylammonium lead tri-iodide (MAPbI3). In particular, the low…

The organic-inorganic lead halide perovskites are composed of organic molecules imbedded in an inorganic framework. The compounds with general formula CH$_{3}$NH$_{3}$PbX$_{3}$ (MAPbX$_{2}$) display large photovoltaic efficiencies for…