Defect-induced tuning of polarity-dependent adsorption in hydrophobic–hydrophilic UiO-66

Structural defects in metal–organic frameworks can be exploited to tune material properties. In the case of UiO-66 material, they may change its nature from hydrophobic to hydrophilic and therefore affect the mechanism of adsorption of polar and non-polar molecules. In this work, we focused on under...

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Autores principales: Jajko, Gabriela, Calero, Sofia, Kozyra, Paweł, Makowski, Wacław, Sławek, Andrzej, Gil, Barbara, Gutiérrez-Sevillano, Juan José
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9814431/
https://www.ncbi.nlm.nih.gov/pubmed/36697947
http://dx.doi.org/10.1038/s42004-022-00742-z
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author Jajko, Gabriela
Calero, Sofia
Kozyra, Paweł
Makowski, Wacław
Sławek, Andrzej
Gil, Barbara
Gutiérrez-Sevillano, Juan José
author_facet Jajko, Gabriela
Calero, Sofia
Kozyra, Paweł
Makowski, Wacław
Sławek, Andrzej
Gil, Barbara
Gutiérrez-Sevillano, Juan José
author_sort Jajko, Gabriela
collection PubMed
description Structural defects in metal–organic frameworks can be exploited to tune material properties. In the case of UiO-66 material, they may change its nature from hydrophobic to hydrophilic and therefore affect the mechanism of adsorption of polar and non-polar molecules. In this work, we focused on understanding this mechanism during adsorption of molecules with different dipole moments, using the standard volumetric adsorption measurements, IR spectroscopy, DFT + D calculations, and Monte Carlo calculations. Average occupation profiles showed that polar and nonpolar molecules change their preferences for adsorption sites. Hence, defects in the structure can be used to tune the adsorption properties of the MOF as well as to control the position of the adsorbates within the micropores of UiO-66.
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spelling pubmed-98144312023-01-10 Defect-induced tuning of polarity-dependent adsorption in hydrophobic–hydrophilic UiO-66 Jajko, Gabriela Calero, Sofia Kozyra, Paweł Makowski, Wacław Sławek, Andrzej Gil, Barbara Gutiérrez-Sevillano, Juan José Commun Chem Article Structural defects in metal–organic frameworks can be exploited to tune material properties. In the case of UiO-66 material, they may change its nature from hydrophobic to hydrophilic and therefore affect the mechanism of adsorption of polar and non-polar molecules. In this work, we focused on understanding this mechanism during adsorption of molecules with different dipole moments, using the standard volumetric adsorption measurements, IR spectroscopy, DFT + D calculations, and Monte Carlo calculations. Average occupation profiles showed that polar and nonpolar molecules change their preferences for adsorption sites. Hence, defects in the structure can be used to tune the adsorption properties of the MOF as well as to control the position of the adsorbates within the micropores of UiO-66. Nature Publishing Group UK 2022-10-07 /pmc/articles/PMC9814431/ /pubmed/36697947 http://dx.doi.org/10.1038/s42004-022-00742-z Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Jajko, Gabriela
Calero, Sofia
Kozyra, Paweł
Makowski, Wacław
Sławek, Andrzej
Gil, Barbara
Gutiérrez-Sevillano, Juan José
Defect-induced tuning of polarity-dependent adsorption in hydrophobic–hydrophilic UiO-66
title Defect-induced tuning of polarity-dependent adsorption in hydrophobic–hydrophilic UiO-66
title_full Defect-induced tuning of polarity-dependent adsorption in hydrophobic–hydrophilic UiO-66
title_fullStr Defect-induced tuning of polarity-dependent adsorption in hydrophobic–hydrophilic UiO-66
title_full_unstemmed Defect-induced tuning of polarity-dependent adsorption in hydrophobic–hydrophilic UiO-66
title_short Defect-induced tuning of polarity-dependent adsorption in hydrophobic–hydrophilic UiO-66
title_sort defect-induced tuning of polarity-dependent adsorption in hydrophobic–hydrophilic uio-66
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9814431/
https://www.ncbi.nlm.nih.gov/pubmed/36697947
http://dx.doi.org/10.1038/s42004-022-00742-z
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