Polarons in materials

C Franchini, M Reticcioli, M Setvin… - Nature Reviews Materials, 2021 - nature.com
Polarons are quasiparticles that easily form in polarizable materials due to the coupling of
excess electrons or holes with ionic vibrations. These quasiparticles manifest themselves in …

First-principles modeling of defects in lead halide perovskites: best practices and open issues

D Meggiolaro, F De Angelis - ACS Energy Letters, 2018 - ACS Publications
Lead halide perovskites are outstanding materials, showing long lifetimes of
photogenerated carriers that induce high conversion efficiencies in solar cells and light …

Polarons in halide perovskites: a perspective

D Ghosh, E Welch, AJ Neukirch… - The journal of …, 2020 - ACS Publications
Metal halide perovskites (MHPs) have rapidly emerged as leading contenders in
photovoltaic technology and other optoelectronic applications owing to their outstanding …

Coupling halide perovskites with different materials: From do** to nanocomposites, beyond photovoltaics

M Righetto, D Meggiolaro, A Rizzo, R Sorrentino… - Progress in Materials …, 2020 - Elsevier
Lead halide perovskites (LHPs) have been for a decade and still remain the rising stars in
current materials science research. After ten years of incessant work, researchers have …

Excited-state vibrational dynamics toward the polaron in methylammonium lead iodide perovskite

M Park, AJ Neukirch, SE Reyes-Lillo, M Lai… - Nature …, 2018 - nature.com
Hybrid organic–inorganic perovskites have attractive optoelectronic properties including
exceptional solar cell performance. The improved properties of perovskites have been …

Large polaron formation and its effect on electron transport in hybrid perovskites

F Zheng, L Wang - Energy & Environmental Science, 2019 - pubs.rsc.org
Many experiments have indicated that a large polaron may be formed in hybrid perovskites,
and its existence is proposed to screen the carrier–carrier and carrier–defect scattering, thus …

From large to small polarons in lead, tin, and mixed lead–tin halide perovskites

A Mahata, D Meggiolaro… - The Journal of Physical …, 2019 - ACS Publications
The origin of the long carrier lifetime in lead halide perovskites is still under debate, and,
among different hypotheses, the formation of large polarons preventing the recombination of …

Ab initio investigations of structural, elastic, electronic and optical properties of the fluoroperovskite TIXF3 (X= Ca, Cd, Hg, and Mg) compounds

S Khan, SU Zaman, R Ahmad… - Materials Research …, 2020 - iopscience.iop.org
Ab initio calculations of Tl-based fluoroperovskite compounds TlXF 3 (X= Ca, Cd, Hg, and
Mg) are carried out in the framework of Density Functional Theory (DFT). We have …

Long-lived photoinduced polarons in organohalide perovskites

T Ivanovska, C Dionigi, E Mosconi… - The Journal of …, 2017 - ACS Publications
The long diffusion length of charge carriers in the CH3NH3PbI3 perovskite is one of the most
relevant properties for explaining the high photovoltaic efficiency of perovskite solar cells. As …

Geometry distortion and small polaron binding energy changes with ionic substitution in halide perovskites

AJ Neukirch, II Abate, L Zhou, W Nie… - The journal of …, 2018 - ACS Publications
Halide perovskites have demonstrated remarkable performance in optoelectronic
applications. Despite extraordinary progress, questions remain about device stability. We …