First-Principles Analysis of Radiative Recombination in Lead-Halide Perovskites

Atomic structure of metal-halide perovskites from first principles

Powered by TCPDF (www.tcpdf.org) This material is protected by copyright and other intellectual property rights, and duplication or sale of all or part of any of the repository collections is not permitted, except that material may be duplicated by you for your research use or educational purposes in electronic or print form. You must obtain permission for any other use. Electronic or print cop...

Local Versus Long‐Range Diffusion Effects of Photoexcited States on Radiative Recombination in Organic–Inorganic Lead Halide Perovskites

Radiative recombination in thin films of the archetypical, high-performing perovskites CH3NH3PbBr3 and CH3NH3PbI3 shows localized regions of increased emission with dimensions ≈500 nm. Maps of the spectral emission line shape show narrower emission lines in high emission regions, which can be attributed to increased order. Excited states do not diffuse out of high emission regions before they d...

Large polarons in lead halide perovskites

Lead halide perovskites show marked defect tolerance responsible for their excellent optoelectronic properties. These properties might be explained by the formation of large polarons, but how they are formed and whether organic cations are essential remain open questions. We provide a direct time domain view of large polaron formation in single-crystal lead bromide perovskites CH3NH3PbBr3 and C...

Transcending the slow bimolecular recombination in lead-halide perovskites for electroluminescence

The slow bimolecular recombination that drives three-dimensional lead-halide perovskites' outstanding photovoltaic performance is conversely a fundamental limitation for electroluminescence. Under electroluminescence working conditions with typical charge densities lower than 1015 cm-3, defect-states trapping in three-dimensional perovskites competes effectively with the bimolecular radiative r...

First-principles study of structural instabilities in halide-based perovskites: Competition between ferroelectricity and ferroelasticity.