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Mixing iodide and bromide in halide perovskite semiconductors is an effective strategy to tune their bandgap, therefore mixed-halide perovskites hold great promise for color-tunable LEDs and tandem solar cells. However, the bandgap of…

The application of ultrathin two-dimensional (2D) perovskites in near-infrared and visible-range optoelectronics has been limited owing to their inherent wide bandgaps, large excitonic binding energies and low optical absorption at higher…

Mesoscale and Nanoscale Physics · Physics 2022-05-06 Abin Varghese , Yuefeng Yin , Mingchao Wang , Saurabh Lodha , Nikhil V. Medhekar

Extensive studies have been performed on layered compounds, ranging from layered cuprates to van der Waals materials with critical issues of intergrowths and stacking faults. However, such structures have been studied less because of…

Realizing semiconductors with high symmetry of their crystallographic structures has been a virtue of inorganic materials and has resulted in novel physical behaviors. In contrast, hybrid (organic and inorganic) crystals such as…

Accurate prediction of electronic band gaps in halide perovskites using density functional theory is crucial for optoelectronic applications. Standard hybrid functionals like HSE and PBE0 are becoming computationally accessible, yet can…

Ferroelasticity describes a phenomenon in which a material exhibits two or more equally stable orientation variants and can be switched from one form to another under an applied stress. Recent works have demonstrated that two-dimensional…

Materials Science · Physics 2024-09-11 Devesh R. Kripalani , Qiye Guan , Hejin Yan , Yongqing Cai , Kun Zhou

Development of advanced optical data storage, information encryption, and security labeling technologies requires low-cost materials exhibiting local, pronounced, and diverse modification of their structure-dependent optical properties…

The perovskite semiconductor, CsPbI3, holds excellent promise for solar cell applications due to its suitable bandgap. However, achieving phase-stable CsPbI3 solar cells with high power conversion efficiency remains a major challenge.…

Stability and toxicity issues with the hybrid lead iodide perovskite MAPbI$_3$ necessitate a hunt for potential alternatives. Here, we shed light on promising photovoltaic properties of gold mixed-valence halide perovskites…

Materials Science · Physics 2020-01-07 Jiban Kangsabanik , Supriti Ghorui , M. Aslam , Aftab Alam

The excellent optoelectronic properties, straightforward synthesis, and robust material stability of quasi-2D metal halide perovskites have made them a hot research topic for optoelectronic devices. In layered organic-inorganic perovskites,…

Materials Science · Physics 2025-10-31 Brindhu Malani S , Eugen Klein , Rostyslav Lesyuk , Christian Klinke

Two-dimensional (2D) halide perovskites (HPs) are promising materials for various optoelectronic applications, yet a comprehensive understanding of their dynamics is still elusive. Here, we offer insight into the dynamics of prototypical 2D…

Materials Science · Physics 2024-08-15 Erik Fransson , Julia Wiktor , Paul Erhart

Halide perovskites are promising semiconductors for inexpensive, high-performance optoelectronics. Despite a remarkable defect tolerance compared to conventional semiconductors, perovskite thin films still show substantial microscale…

Hybrid organic-inorganic perovskites (HOIPs) have emerged to the forefront of optoelectronic materials advancement in the past few years. Due to the nature of organic compounds within the perovskite structure, its optoelectronic properties…

The electronic structure evolution of deficient halide perovskites with a general formula $(A,A')_{1+x}M_{1-x}X_{3-x}$ was investigated using the density functional theory. The focus is placed on characterization of changes in the band gap,…

Materials Science · Physics 2019-12-25 Chao Zheng , Oleg Rubel , Mikaël Kepenekian , Xavier Rocquefelte , Claudine Katan

Electric force microscopy was used to record the light-dependent impedance spectrum and the probe transient photoconductivity of a film of butylammonium lead iodide, BA$_{2}$PbI$_{4}$, a 2D Ruddlesden--Popper perovskite semiconductor. The…

Mesoscale and Nanoscale Physics · Physics 2020-06-02 Ali Moeed Tirmzi , Ryan P. Dwyer , Fangyuan Jiang , John A. Marohn

Metal halide perovskite semiconductors have outstanding optoelectronic properties. Although these perovskites are defect-tolerant electronically, defects hamper their long-term stability and cause degradation. Density functional theory…

Materials Science · Physics 2021-09-02 Haibo Xue , Geert Brocks , Shuxia Tao

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…

Chalcogenide perovskites have been recently under the researchers spotlight as novel absorber materials for photovoltaic applications. BaZrS$_3$, the most investigated compound of this family, shows a high absorption coefficient, a bandgap…

The recently emerged organohalide perovskites (e.g., CH3NH3PbI3) have drawn intense attention for high efficiency solar cells. However, with a considerable solubility in many solvents, these perovskites are not typically compatible with…