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Bandgap Modulation of Cs(2)AgInX(6) (X = Cl and Br) Double Perovskite Nano- and Microcrystals via Cu(2+) Doping

[Image: see text] Recently, the double perovskite Cs(2)AgInCl(6), which has high stability and low toxicity, has been proposed as a potential alternative to Pb-based perovskites. However, the calculated parity-allowed transition bandgap of Cs(2)AgInCl(6) is 4.25 eV; this wide bandgap makes it diffic...

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Autores principales: Kim, Kangyong, Kim, Hyeonjung, Park, Jongnam
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8628852/
https://www.ncbi.nlm.nih.gov/pubmed/34853820
http://dx.doi.org/10.1021/acsomega.1c03290
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author Kim, Kangyong
Kim, Hyeonjung
Park, Jongnam
author_facet Kim, Kangyong
Kim, Hyeonjung
Park, Jongnam
author_sort Kim, Kangyong
collection PubMed
description [Image: see text] Recently, the double perovskite Cs(2)AgInCl(6), which has high stability and low toxicity, has been proposed as a potential alternative to Pb-based perovskites. However, the calculated parity-allowed transition bandgap of Cs(2)AgInCl(6) is 4.25 eV; this wide bandgap makes it difficult to use as an efficient solar absorber. In this study, we explored the effect of Cu doping on the optical properties of Cs(2)AgInCl(6) double perovskite nano- and microcrystals (MCs), particularly in its changes of absorption profile from the ultraviolet (UV) to near-infrared (NIR) region. Undoped Cs(2)AgInCl(6) showed the expected wide bandgap absorbance, but the Cu-doped sample showed a new sharp absorption peak at 419 nm and broad absorption bands near 930 nm, indicating bandgap reduction. Electron paramagnetic resonance (EPR) spectroscopy demonstrated that this bandgap reduction effect was due to the Cu doping in the double perovskite and confirmed that the Cu(2+) paramagnetic centers were located on the surface of the nanocrystals (NCs) and at the center of the perovskite octahedrons (g(∥) > g(⊥) > g(e)). Finally, we synthesized Cu-doped Cs(2)AgInCl(6) MCs and observed results similar to those of the NCs, showing that the application range could be expanded to multidimensions.
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spelling pubmed-86288522021-11-30 Bandgap Modulation of Cs(2)AgInX(6) (X = Cl and Br) Double Perovskite Nano- and Microcrystals via Cu(2+) Doping Kim, Kangyong Kim, Hyeonjung Park, Jongnam ACS Omega [Image: see text] Recently, the double perovskite Cs(2)AgInCl(6), which has high stability and low toxicity, has been proposed as a potential alternative to Pb-based perovskites. However, the calculated parity-allowed transition bandgap of Cs(2)AgInCl(6) is 4.25 eV; this wide bandgap makes it difficult to use as an efficient solar absorber. In this study, we explored the effect of Cu doping on the optical properties of Cs(2)AgInCl(6) double perovskite nano- and microcrystals (MCs), particularly in its changes of absorption profile from the ultraviolet (UV) to near-infrared (NIR) region. Undoped Cs(2)AgInCl(6) showed the expected wide bandgap absorbance, but the Cu-doped sample showed a new sharp absorption peak at 419 nm and broad absorption bands near 930 nm, indicating bandgap reduction. Electron paramagnetic resonance (EPR) spectroscopy demonstrated that this bandgap reduction effect was due to the Cu doping in the double perovskite and confirmed that the Cu(2+) paramagnetic centers were located on the surface of the nanocrystals (NCs) and at the center of the perovskite octahedrons (g(∥) > g(⊥) > g(e)). Finally, we synthesized Cu-doped Cs(2)AgInCl(6) MCs and observed results similar to those of the NCs, showing that the application range could be expanded to multidimensions. American Chemical Society 2021-10-08 /pmc/articles/PMC8628852/ /pubmed/34853820 http://dx.doi.org/10.1021/acsomega.1c03290 Text en © 2021 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Kim, Kangyong
Kim, Hyeonjung
Park, Jongnam
Bandgap Modulation of Cs(2)AgInX(6) (X = Cl and Br) Double Perovskite Nano- and Microcrystals via Cu(2+) Doping
title Bandgap Modulation of Cs(2)AgInX(6) (X = Cl and Br) Double Perovskite Nano- and Microcrystals via Cu(2+) Doping
title_full Bandgap Modulation of Cs(2)AgInX(6) (X = Cl and Br) Double Perovskite Nano- and Microcrystals via Cu(2+) Doping
title_fullStr Bandgap Modulation of Cs(2)AgInX(6) (X = Cl and Br) Double Perovskite Nano- and Microcrystals via Cu(2+) Doping
title_full_unstemmed Bandgap Modulation of Cs(2)AgInX(6) (X = Cl and Br) Double Perovskite Nano- and Microcrystals via Cu(2+) Doping
title_short Bandgap Modulation of Cs(2)AgInX(6) (X = Cl and Br) Double Perovskite Nano- and Microcrystals via Cu(2+) Doping
title_sort bandgap modulation of cs(2)aginx(6) (x = cl and br) double perovskite nano- and microcrystals via cu(2+) doping
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8628852/
https://www.ncbi.nlm.nih.gov/pubmed/34853820
http://dx.doi.org/10.1021/acsomega.1c03290
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