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2D layered hybrid organic-inorganic perovskites (HOIPs) have demonstrated improved stability and promising photovoltaic performance. The mechanical properties of such functional materials are both fundamentally and practically important to…

Understanding carrier dynamics in photoexcited metal-halide perovskites is key for optoelectronic devices such as solar cells (low carrier densities) and lasers (high carrier densities). Trapping processes at low carrier densities and…

Hybrid organic-inorganic perovskites (HOIP) have emerged in recent years as highly promising semiconducting materials for a wide range of optoelectronic and energy applications. Nevertheless, the rotational dynamics of the organic…

Materials Science · Physics 2024-10-29 Carlos Escorihuela-Sayalero , Ares Sanuy , Luis Carlos Pardo , Claudio Cazorla

Methylammonium lead iodide (MAPI) is a benchmark hybrid organic perovskite material, which is used for the low-cost, printed solar cells with over 20 percent power conversion efficiency. Yet, the nature of light-matter interaction in MAPI…

The volume of research into organo-lead hailde perovskites is increasing rapidly, with perovskite solar cell efficiencies reaching as high as 22 percent. There is considerable evidence that mobile ions in the perovskite strongly influence…

Materials Science · Physics 2018-01-15 D. W. Ferdani , A. L. Johnson , S. E. Lewis , P. J. Baker , P. J. Cameron

Organometal halide perovskites are promising solar-cell materials for next-generation photovoltaic applications. The long carrier lifetime and diffusion length of these materials make them very attractive for use in light absorbers and…

Materials Science · Physics 2016-12-21 Fan Zheng , Liang Z. Tan , Shi Liu , Andrew M. Rappe

Here we develop a microscopic approach aimed at the description of a suite of physical effects related to carrier transport in, and the optical properties of, halide perovskites. Our theory is based on the description of the nuclear…

Materials Science · Physics 2018-11-13 Matthew Z. Mayers , Liang Z. Tan , David A. Egger , Andrew M. Rappe , David R. Reichman

The charge transport properties of hybrid halide perovskites are investigated with a combination of density functional theory including van der Waals interaction and the Boltzmann theory for diffusive transport in the relaxation time…

Materials Science · Physics 2016-01-29 Carlo Motta , Fedwa El Mellouhi , Stefano Sanvito

Understanding the structural and magnetic properties in layered hybrid organic-inorganic metal halide perovskites (HOIPs) is key for their design and integration in spin-electronic devices. Here, we have conducted a systematic study on ten…

Open circuit voltage decay measurements are performed on methylammonium lead iodide (CH3NH3PbI3) perovskite solar cells to investigate the charge carrier recombination dynamics. The measurements are compared to the two reference…

Materials Science · Physics 2014-07-07 A. Baumann , K. Tvingstedt , M. C. Heiber , S. Väth , C. Momblona , H. J. Bolink , V. Dyakonov

Halide perovskites are known for their rich phase diagram and superior performance in diverse optoelectronics applications. The latter property is often attributed to the long electron-hole recombination time, whose underlying physical…

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…

Materials Science · Physics 2026-05-07 Viren Tyagi , Geert Brocks , Shuxia Tao

Quantum technologic and spintronic applications require reliable semiconducting materials that enable a significant, long-living spin polarization of electronic excitations and offer the ability to manipulate it optically in an external…

Lead iodide perovskites have attracted considerable interest in the upcoming photovoltaic technologies and optoelectronic devices. Therefore, an accurate theoretical description of the electronic and optical properties especially to…

Materials Science · Physics 2022-01-20 Pooja Basera , Arunima Singh , Deepika Gill , Saswata Bhattacharya

Hot-carrier cooling (HCC) in metal halide perovskites in the high-density regime is significantly slower compared to conventional semiconductors. This effect is commonly attributed to a hot-phonon bottleneck but the influence of the lattice…

The hybrid halide perovskite CH$_3$NH$_3$PbI$_3$ is easy to manufacture and inexpensive. Despite these, its efficiency as a solar cell is comparable to today's efficient solar cells. For these reasons, it is attracting a lot of attention…

Materials Science · Physics 2023-08-02 Veysel Çelik

Two-dimensional organic-inorganic hybrid perovskites (2D HOIPs) have been widely used for various optoelectronics owing to the excellent photoelectric properties. Recently, a great deal of studies have focused on engineering the organic…

Computational Physics · Physics 2023-12-01 Caihong Zheng , Fan Zheng

Optical orientation of exciton and carrier spins by circularly polarized light is the basic phenomenon in the spin physics of semiconductors. Here, we investigate spin orientation in MAPbI3 lead halide perovskite crystals at the cryogenic…

We perform a thorough structural search with the minima hopping method (MHM) to explore low-energy structures of methylammonium lead iodide. By combining the MHM with a forcefield, we efficiently screen vast portions of the configurational…

Hybrid lead-halide perovskites have emerged as an excellent class of photovoltaic materials. Recent reports suggest that the organic molecular cation is responsible for local polar fluctuations that inhibit carrier recombination. We combine…