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Stability Trends in Mono-Metallic 3d Layered Double Hydroxides
Layered double hydroxides (LDHs) constitute a unique group of 2D materials that can deliver exceptional catalytic, optical, and electronic performance. However, they usually suffer from low stability compared to their oxide counterparts. Using density functional calculations, we quantitatively demon...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9029406/ https://www.ncbi.nlm.nih.gov/pubmed/35458045 http://dx.doi.org/10.3390/nano12081339 |
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author | Mohammadi, Saeedeh Esmailpour, Ayoub Doustkhah, Esmail Assadi, Mohammad Hussein Naseef |
author_facet | Mohammadi, Saeedeh Esmailpour, Ayoub Doustkhah, Esmail Assadi, Mohammad Hussein Naseef |
author_sort | Mohammadi, Saeedeh |
collection | PubMed |
description | Layered double hydroxides (LDHs) constitute a unique group of 2D materials that can deliver exceptional catalytic, optical, and electronic performance. However, they usually suffer from low stability compared to their oxide counterparts. Using density functional calculations, we quantitatively demonstrate the crucial impact of the intercalants (i.e., water, lactate, and carbonate) on the stability of a series of common LDHs based on Mn, Fe, and Co. We found that intercalation with the singly charged lactate results in higher stability in all these LDH compounds, compared to neutral water and doubly charged carbonate. Furthermore, we show that the dispersion effect aids the stability of these LDH compounds. This investigation reveals that certain intercalants enhance LDH stability and alter the bandgap favourably. |
format | Online Article Text |
id | pubmed-9029406 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-90294062022-04-23 Stability Trends in Mono-Metallic 3d Layered Double Hydroxides Mohammadi, Saeedeh Esmailpour, Ayoub Doustkhah, Esmail Assadi, Mohammad Hussein Naseef Nanomaterials (Basel) Article Layered double hydroxides (LDHs) constitute a unique group of 2D materials that can deliver exceptional catalytic, optical, and electronic performance. However, they usually suffer from low stability compared to their oxide counterparts. Using density functional calculations, we quantitatively demonstrate the crucial impact of the intercalants (i.e., water, lactate, and carbonate) on the stability of a series of common LDHs based on Mn, Fe, and Co. We found that intercalation with the singly charged lactate results in higher stability in all these LDH compounds, compared to neutral water and doubly charged carbonate. Furthermore, we show that the dispersion effect aids the stability of these LDH compounds. This investigation reveals that certain intercalants enhance LDH stability and alter the bandgap favourably. MDPI 2022-04-13 /pmc/articles/PMC9029406/ /pubmed/35458045 http://dx.doi.org/10.3390/nano12081339 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Mohammadi, Saeedeh Esmailpour, Ayoub Doustkhah, Esmail Assadi, Mohammad Hussein Naseef Stability Trends in Mono-Metallic 3d Layered Double Hydroxides |
title | Stability Trends in Mono-Metallic 3d Layered Double Hydroxides |
title_full | Stability Trends in Mono-Metallic 3d Layered Double Hydroxides |
title_fullStr | Stability Trends in Mono-Metallic 3d Layered Double Hydroxides |
title_full_unstemmed | Stability Trends in Mono-Metallic 3d Layered Double Hydroxides |
title_short | Stability Trends in Mono-Metallic 3d Layered Double Hydroxides |
title_sort | stability trends in mono-metallic 3d layered double hydroxides |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9029406/ https://www.ncbi.nlm.nih.gov/pubmed/35458045 http://dx.doi.org/10.3390/nano12081339 |
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