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The Electronic Disorder Landscape of Mixed Halide Perovskites

[Image: see text] Band gap tunability of lead mixed halide perovskites makes them promising candidates for various applications in optoelectronics. Here we use the localization landscape theory to reveal that the static disorder due to iodide:bromide compositional alloying contributes at most 3 meV...

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Autores principales: Liu, Yun, Banon, Jean-Philippe, Frohna, Kyle, Chiang, Yu-Hsien, Tumen-Ulzii, Ganbaatar, Stranks, Samuel D., Filoche, Marcel, Friend, Richard H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9841609/
https://www.ncbi.nlm.nih.gov/pubmed/36660372
http://dx.doi.org/10.1021/acsenergylett.2c02352
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author Liu, Yun
Banon, Jean-Philippe
Frohna, Kyle
Chiang, Yu-Hsien
Tumen-Ulzii, Ganbaatar
Stranks, Samuel D.
Filoche, Marcel
Friend, Richard H.
author_facet Liu, Yun
Banon, Jean-Philippe
Frohna, Kyle
Chiang, Yu-Hsien
Tumen-Ulzii, Ganbaatar
Stranks, Samuel D.
Filoche, Marcel
Friend, Richard H.
author_sort Liu, Yun
collection PubMed
description [Image: see text] Band gap tunability of lead mixed halide perovskites makes them promising candidates for various applications in optoelectronics. Here we use the localization landscape theory to reveal that the static disorder due to iodide:bromide compositional alloying contributes at most 3 meV to the Urbach energy. Our modeling reveals that the reason for this small contribution is due to the small effective masses in perovskites, resulting in a natural length scale of around 20 nm for the “effective confining potential” for electrons and holes, with short-range potential fluctuations smoothed out. The increase in Urbach energy across the compositional range agrees well with our optical absorption measurements. We model systems of sizes up to 80 nm in three dimensions, allowing us to accurately reproduce the experimentally observed absorption spectra of perovskites with halide segregation. Our results suggest that we should look beyond static contribution and focus on the dynamic temperature dependent contribution to the Urbach energy.
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spelling pubmed-98416092023-01-17 The Electronic Disorder Landscape of Mixed Halide Perovskites Liu, Yun Banon, Jean-Philippe Frohna, Kyle Chiang, Yu-Hsien Tumen-Ulzii, Ganbaatar Stranks, Samuel D. Filoche, Marcel Friend, Richard H. ACS Energy Lett [Image: see text] Band gap tunability of lead mixed halide perovskites makes them promising candidates for various applications in optoelectronics. Here we use the localization landscape theory to reveal that the static disorder due to iodide:bromide compositional alloying contributes at most 3 meV to the Urbach energy. Our modeling reveals that the reason for this small contribution is due to the small effective masses in perovskites, resulting in a natural length scale of around 20 nm for the “effective confining potential” for electrons and holes, with short-range potential fluctuations smoothed out. The increase in Urbach energy across the compositional range agrees well with our optical absorption measurements. We model systems of sizes up to 80 nm in three dimensions, allowing us to accurately reproduce the experimentally observed absorption spectra of perovskites with halide segregation. Our results suggest that we should look beyond static contribution and focus on the dynamic temperature dependent contribution to the Urbach energy. American Chemical Society 2022-11-30 /pmc/articles/PMC9841609/ /pubmed/36660372 http://dx.doi.org/10.1021/acsenergylett.2c02352 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Liu, Yun
Banon, Jean-Philippe
Frohna, Kyle
Chiang, Yu-Hsien
Tumen-Ulzii, Ganbaatar
Stranks, Samuel D.
Filoche, Marcel
Friend, Richard H.
The Electronic Disorder Landscape of Mixed Halide Perovskites
title The Electronic Disorder Landscape of Mixed Halide Perovskites
title_full The Electronic Disorder Landscape of Mixed Halide Perovskites
title_fullStr The Electronic Disorder Landscape of Mixed Halide Perovskites
title_full_unstemmed The Electronic Disorder Landscape of Mixed Halide Perovskites
title_short The Electronic Disorder Landscape of Mixed Halide Perovskites
title_sort electronic disorder landscape of mixed halide perovskites
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9841609/
https://www.ncbi.nlm.nih.gov/pubmed/36660372
http://dx.doi.org/10.1021/acsenergylett.2c02352
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