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Related papers: Compound Defects in Halide Perovskites: A First-Pr…

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All-inorganic halide perovskites have received a lot of attention as attractive alternatives to overcome the stability issues of hybrid halide perovskites that are commonly associated with organic cations. To find a compromise between the…

Materials Science · Physics 2026-04-28 Mike Pols , Adri C. T. van Duin , Sofía Calero , Shuxia Tao

The MAPbI$_3$ halide perovskite single crystals are studied at 5 K temperature using the photoluminescence excitation spectroscopy. Two non-interacting types of states are determined: bound excitons and defect-related states. Excitation of…

Mesoscale and Nanoscale Physics · Physics 2020-05-07 A. O. Murzin , N. I. Selivanov , V. O. Kozlov , I. I. Ryzhov , A. V. Emeline , Yu. V. Kapitonov

Hybrid Lead halide perovskites, despite having unique intrinsic properties with the possibility of flexible synthesis and device fabrication, still suffer from two fundamental issues, i.e. stability in external environment and toxicity due…

Materials Science · Physics 2018-05-16 Jiban Kangsabanik , Vipinraj Sugathan , Anuradha Yadav , Aswani Yella , Aftab Alam

Halide perovskites are a promising class of materials for optoelectronic applications, due to their excellent optoelectronic performance. However, they suffer several dynamical degradation problems, the characterization of which is…

Materials Science · Physics 2021-11-01 Sander Raaijmakers , Mike Pols , José Manuel Vicent-Luna , Shuxia Tao

Strong deviations in the finite temperature atomic structure of halide perovskites from their average geometry can have profound impacts on optoelectronic and other device-relevant properties. Detailed mechanistic understandings of these…

Materials Science · Physics 2022-02-21 Xiangzhou Zhu , Sebastián Caicedo-Dávila , Christian Gehrmann , David A. Egger

Halide perovskites constitute a chemically-diverse class of crystals with great promise as photovoltaic absorber materials, featuring band gaps between about 1 and 3.5 eV depending on composition. Their diversity calls for a general…

Materials Science · Physics 2019-10-23 Linn Leppert , Tonatiuh Rangel , Jeffrey B. Neaton

CsPbI3 has recently received tremendous attention as a possible absorber of perovskite solar cells (PSCs). However, CsPbI3-based PSCs have yet to achieve the high performance of the hybrid PSCs. In this work, we performed a density…

We use solid-state methods to synthesize single crystals of perovskite-phase cesium lead iodide (${\gamma}$-CsPbI3) that are kinetically stable at room temperature. Single crystal X-ray diffraction characterization shows that the compound…

Applied Physics · Physics 2019-07-10 Daniel B. Straus , Shu Guo , Robert J. Cava

The first principles calculations of band gaps and bulk moduli of cesium lead halide perovskite solid solutions, $CsPb(I_{1-x}Cl_x)_3$ and $CsPb(I_{1-x}Br_x)_3$, are performed at the level of general gradient approximation of the density…

Disordered Systems and Neural Networks · Physics 2020-01-08 Vladimir Saleev , Alexandra Shipilova

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…

Materials Science · Physics 2018-10-01 Yevgeny Rakita , David Cahen , Gary Hodes

The defect-activity in halide perovskites remains a critical factor for the application in optoelectronics. The imperfections (vacancies, anti-sites, interstitials) formed in the lattice of the halide perovskites were considered as a main…

Hybrid halide perovskites are currently under intense investigation due to their potential applications in optoelectronics and solar cells. Among them, MAPbI$_3$ where MA stands for the methylammonium cation, exhibits ideal properties for…

Materials Science · Physics 2017-07-10 A. Koliogiorgos , S. Baskoutas , I. Galanakis

We find significant differences between degradation and healing at the surface or in the bulk for each of the different APbBr3 single crystals (A=CH3NH3+, methylammonium (MA); HC(NH2)2+, formamidinium (FA); and cesium, Cs+). Using 1- and…

Photochemical stability of encapsulated films of mixed halide perovskites with a range of MAPb(I1-xBrx)3 compositions (solid solutions) was investigated under accelerated stressing using concentrated sunlight. Evolution of light absorption…

The resilience to deep traps and localized defect formation is one of the important aspects that qualify a material as suited photo-absorber in solar cell devices. Here we investigate by ab-initio calculations the fundamental physics and…

Materials Science · Physics 2015-07-06 Pietro Delugas , Alessio Filippetti , Alessandro Mattoni

Metal halide perovskites have emerged as an exciting class of materials for applications in solar energy harvesting, optical devices, catalysis, and other photophysical applications. Many of the exciting properties of halide perovskites are…

Materials Science · Physics 2024-04-18 Colin M. Hylton-Farrington , Richard C. Remsing

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…

Materials Science · Physics 2025-09-18 Arghya Paul , Kanak Raj , Prince Raj Lawrence Raj , Pratim Kumar

Perovskite solar cells with record power conversion efficiency are fabricated by alloying both hybrid and fully inorganic compounds. While the basic electronic properties of the hybrid perovskites are now well understood, key electronic…

The electronic structure and energetic stability of A$_2$BX$_6$ halide compounds with the cubic and tetragonal variants of the perovskite-derived K$_2$PtCl$_6$ prototype structure are investigated computationally within the frameworks of…

Metal halide perovskites APbX3 (A+ = FA+ (formamidinium), MA+ (methylammonium) or Cs+, X- = I-, Br-) are considered as prominent innovative components in nowadays perovskite solar cells. Crystallization of these materials is often…