Perovskites for next-generation optical sources

LN Quan, BP Rand, RH Friend, SG Mhaisalkar… - Chemical …, 2019 - ACS Publications
Next-generation displays and lighting technologies require efficient optical sources that
combine brightness, color purity, stability, substrate flexibility. Metal halide perovskites have …

Modeling hybrid perovskites by molecular dynamics

A Mattoni, A Filippetti, C Caddeo - Journal of Physics: Condensed …, 2016 - iopscience.iop.org
The topical review describes the recent progress in the modeling of hybrid perovskites by
molecular dynamics simulations. Hybrid perovskites and in particular methylammonium lead …

Local polar fluctuations in lead halide perovskite crystals

O Yaffe, Y Guo, LZ Tan, DA Egger, T Hull… - Physical review …, 2017 - APS
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 …

Dynamic disorder, phonon lifetimes, and the assignment of modes to the vibrational spectra of methylammonium lead halide perovskites

AMA Leguy, AR Goñi, JM Frost, J Skelton… - Physical Chemistry …, 2016 - pubs.rsc.org
We present Raman and terahertz absorbance spectra of methylammonium lead halide
single crystals (MAPbX3, X= I, Br, Cl) at temperatures between 80 and 370 K. These results …

Strongly anharmonic octahedral tilting in two-dimensional hybrid halide perovskites

M Menahem, Z Dai, S Aharon, R Sharma, M Asher… - ACS …, 2021 - ACS Publications
Recent investigations of two-dimensional (2D) hybrid organic–inorganic halide perovskites
(HHPs) indicate that their optical and electronic properties are dominated by strong coupling …

Electron–phonon scattering in atomically thin 2D perovskites

Z Guo, X Wu, T Zhu, X Zhu, L Huang - ACS nano, 2016 - ACS Publications
Two-dimensional (2D) atomically thin perovskites with strongly bound excitons are highly
promising for optoelectronic applications. However, the nature of nonradiative processes …

Photoprotection in metal halide perovskites by ionic defect formation

N Phung, A Mattoni, JA Smith, D Skroblin, H Köbler… - Joule, 2022 - cell.com
Photostability is critical for long-term solar cell operation. While light-triggered defects are
usually reported as evidence of material degradation, we reveal that the formation of certain …

How lattice and charge fluctuations control carrier dynamics in halide perovskites

MZ Mayers, LZ Tan, DA Egger, AM Rappe… - Nano …, 2018 - ACS Publications
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 …

Anisotropic and ultralow phonon thermal transport in organic–inorganic hybrid perovskites: atomistic insights into solar cell thermal management and thermoelectric …

M Wang, S Lin - Advanced Functional Materials, 2016 - Wiley Online Library
Energy‐related functionality and performance of organic–inorganic hybrid perovskites, such
as methylammonium lead iodide (MAPbI3), highly depend on their thermal transport …

Thermally activated point defect diffusion in methylammonium lead trihalide: anisotropic and ultrahigh mobility of iodine

P Delugas, C Caddeo, A Filippetti… - The journal of physical …, 2016 - ACS Publications
We study the diffusion of point defects in crystalline methylammonium lead halide (MAPI) at
finite temperatures by using all-atoms molecular dynamics. We find that, for what concerns …