Study of Optoelectronic Features in Polar and Nonpolar Polymorphs of the Oxynitride Tin-Based Semiconductor InSnO(2)N

[Image: see text] In view of its potential applicability in photoconversion processes, we here discuss the optoelectronic features of the recently proposed tin-based oxynitride material for (photo)catalysis, InSnO(2)N. In detail, by combining Density Functional and Many-Body Perturbation Theory, we...

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Autores principales: Palummo, Maurizia, Re Fiorentin, Michele, Yamashita, Koichi, Castelli, Ivano E., Giorgi, Giacomo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9940202/
https://www.ncbi.nlm.nih.gov/pubmed/36745501
http://dx.doi.org/10.1021/acs.jpclett.3c00211
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author Palummo, Maurizia
Re Fiorentin, Michele
Yamashita, Koichi
Castelli, Ivano E.
Giorgi, Giacomo
author_facet Palummo, Maurizia
Re Fiorentin, Michele
Yamashita, Koichi
Castelli, Ivano E.
Giorgi, Giacomo
author_sort Palummo, Maurizia
collection PubMed
description [Image: see text] In view of its potential applicability in photoconversion processes, we here discuss the optoelectronic features of the recently proposed tin-based oxynitride material for (photo)catalysis, InSnO(2)N. In detail, by combining Density Functional and Many-Body Perturbation Theory, we compute the electronic and optical properties discussing how they vary from the nonpolar phase to the more stable polar one. After providing a detailed, unbiased, description of the optoelectronic features of the two phases, we have finally calculated the Spectroscopic Limited Maximum Efficiency and obtained data that further witness the relevance of InSnO(2)N for solar energy conversion processes.
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spelling pubmed-99402022023-02-21 Study of Optoelectronic Features in Polar and Nonpolar Polymorphs of the Oxynitride Tin-Based Semiconductor InSnO(2)N Palummo, Maurizia Re Fiorentin, Michele Yamashita, Koichi Castelli, Ivano E. Giorgi, Giacomo J Phys Chem Lett [Image: see text] In view of its potential applicability in photoconversion processes, we here discuss the optoelectronic features of the recently proposed tin-based oxynitride material for (photo)catalysis, InSnO(2)N. In detail, by combining Density Functional and Many-Body Perturbation Theory, we compute the electronic and optical properties discussing how they vary from the nonpolar phase to the more stable polar one. After providing a detailed, unbiased, description of the optoelectronic features of the two phases, we have finally calculated the Spectroscopic Limited Maximum Efficiency and obtained data that further witness the relevance of InSnO(2)N for solar energy conversion processes. American Chemical Society 2023-02-06 /pmc/articles/PMC9940202/ /pubmed/36745501 http://dx.doi.org/10.1021/acs.jpclett.3c00211 Text en © 2023 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 Palummo, Maurizia
Re Fiorentin, Michele
Yamashita, Koichi
Castelli, Ivano E.
Giorgi, Giacomo
Study of Optoelectronic Features in Polar and Nonpolar Polymorphs of the Oxynitride Tin-Based Semiconductor InSnO(2)N
title Study of Optoelectronic Features in Polar and Nonpolar Polymorphs of the Oxynitride Tin-Based Semiconductor InSnO(2)N
title_full Study of Optoelectronic Features in Polar and Nonpolar Polymorphs of the Oxynitride Tin-Based Semiconductor InSnO(2)N
title_fullStr Study of Optoelectronic Features in Polar and Nonpolar Polymorphs of the Oxynitride Tin-Based Semiconductor InSnO(2)N
title_full_unstemmed Study of Optoelectronic Features in Polar and Nonpolar Polymorphs of the Oxynitride Tin-Based Semiconductor InSnO(2)N
title_short Study of Optoelectronic Features in Polar and Nonpolar Polymorphs of the Oxynitride Tin-Based Semiconductor InSnO(2)N
title_sort study of optoelectronic features in polar and nonpolar polymorphs of the oxynitride tin-based semiconductor insno(2)n
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9940202/
https://www.ncbi.nlm.nih.gov/pubmed/36745501
http://dx.doi.org/10.1021/acs.jpclett.3c00211
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