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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...

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Autores principales: Mohammadi, Saeedeh, Esmailpour, Ayoub, Doustkhah, Esmail, Assadi, Mohammad Hussein Naseef
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
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.
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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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