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Under external stimuli, lead halide perovskites exhibit large atomic fluctuations, impacting optical and electron transport properties that affect device performance in operational settings. However, a thorough understanding of the atomic…

Inorganic lead halide perovskite materials have attracted great attention recently due to their potential for greater thermal stability compared to hybrid organic perovskites. However, the high processing temperature to convert from the…

Applied Physics · Physics 2018-09-13 Dianyi Liu , Chenchen Yang , Matthew Bates , Richard R. Lunt

The central goal of crystal engineering is to develop precise control over material function \emph{via} rational design of structure. A particularly successful realisation of this paradigm is the example of hybrid improper ferroelectricity…

Materials Science · Physics 2017-12-06 Hanna L B Boström , Mark S Senn , Andrew L Goodwin

Perovskite compounds have the potential to harvest solar energy as well as exploit the thermoelectric potential of a number of available materials. Here, we present the electronic, structural, thermoelectric, and optical properties of…

Materials Science · Physics 2022-05-31 G. Murtaza

Metal halide perovskites are materials that show unique characteristics for photovoltaics and light emission. Amplified spontaneous emission and stimulated emission has been shown with these materials, together with electroluminescence in…

Optics · Physics 2022-07-28 Francesco Scotognella

Lead-free vacancy-ordered perovskites (VOHPs) such as Cs2SnCl6 have emerged as promising materials for optoelectronic applications but typically suffer from wide band gaps and low photoluminescence quantum yields (PLQY). In this work, the…

Materials Science · Physics 2025-12-19 Shruti Prasad , Pabitra Kumar Nayak , Dibyajyoti Ghosh

Metal halide perovskites are of great interest for application in semitransparent solar cells due to their tunable bandgap and high performance. However, fabricating high-efficiency perovskite semitransparent devices with high average…

Materials Science · Physics 2024-04-22 Zongbao Zhang , Ran Ji , Xiangkun Jia , Shu-Jen Wang , Marielle Deconinck , Elena Siliavka , Yana Vaynzof

Two critical limitations of organic-inorganic lead halide perovskite materials for solar cells are their poor stability in humid environments and inclusion of toxic lead. In this study, high-throughput density functional theory (DFT)…

Materials Science · Physics 2019-04-12 Ryan Jacobs , Guangfu Luo , Dane Morgan

The family of hybrid organic-inorganic lead-halide perovskites are the subject of intense interest for optoelectronic applications, from light-emitting diodes to photovoltaics to X-ray detectors. Due to the inert nature of most organic…

Previous theoretical calculations show azetidinium has the right radial size to form a 3D perovskite with lead halides [1], and has been shown to impart, as the A-site cation of ABX3 unit, beneficial properties to ferroelectric perovskites…

Halide perovskite nanocrystals (NCs) have emerged as a promising material for applications ranging from light-emitting diodes (LEDs) to solar cells and photodetectors. Still, several issues impede the realization of the nanocrystals' full…

Near-Infrared (NIR) light emitting metal halides are emerging as a new generation of optical materials owing to their appealing features, which include low-cost synthesis, solution processability and adjustable optical properties. NIR…

Materials Science · Physics 2025-12-09 Ying Liu , Francesco Di Stasio , Chenghao Bi , Jibin Zhang , Zhiguo Xia , Zhifeng Shi , Liberato Manna

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

Hybrid organic/inorganic perovskites have emerged as efficient semiconductor materials for applications in photovoltaic solar cells with conversion efficiency above 20 \%. Recent experiments have synthesized ultra-thin two-dimensional (2D)…

Materials Science · Physics 2018-12-12 Alejandro Molina-Sánchez

All-inorganic halide perovskites have attracted a great interest as a promising light harvester of perovskite solar cells due to their enhanced chemical stability. In this work we investigate the material properties of solid solutions…

Materials Science · Physics 2020-04-22 Chol-Jun Yu , Un-Hyok Ko , Suk-Gyong Hwang , Yun-Sim Kim , Un-Gi Jong , Yun-Hyok Kye , Chol-Hyok Ri

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…

Materials Science · Physics 2024-04-25 S. Mahmud , M. A. Ali , M. M. Hossain , M. M. Uddin

Bulk quantum materials based on zero-dimensional (0D) lead-free organic tin halide perovskites have been developed for the first time, which give broadband Gaussian-shaped and strongly Stokes shifted emissions with quantum efficiencies of…

Halide double perovskite semiconductors such as Cs2AgBiBr6 are widely investigated as a more stable, less toxic alternative to lead-halide perovskites in light conversion applications including photovoltaics and photoredox catalysis.…

The structural, vibrational, and optical properties of Rb$_2$TeBr$_6$ have been investigated under high pressure using synchrotron X-ray diffraction, Raman spectroscopy, photoluminescence (PL), and optical absorption measurements. At…

Materials Science · Physics 2026-04-20 Suvashree Mukherjee , Asish Kumar Mishra , K. A. Irshad , Boby Joseph , Goutam Dev Mukherjee

Non-toxicity and stability make two-dimensional (2D) bismuth halide perovskites better alternatives to lead-based ones for optoelectronic applications and catalysis. In this work, we synthesize sub-micron size colloidal quasi-2D Cs3Bi2I9…