Unravelling the structure of CO2 in silica adsorbents: an NMR and computational perspective

Mariana Sardo; Tiago Morais; Márcio Soares; Ricardo Vieira; Marina Ilkaeva; Mirtha A. O. Lourenço; Ildefonso Marín-Montesinos; Luís Mafra

doi:10.1039/D3CC05942A

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Unravelling the structure of CO₂ in silica adsorbents: an NMR and computational perspective

Mariana Sardo,

^a Tiago Morais,^ac Márcio Soares,^a Ricardo Vieira,

^a Marina Ilkaeva,

^ab Mirtha A. O. Lourenço,

^a Ildefonso Marín-Montesinos

^a and Luís Mafra

*^a

Author affiliations

* Corresponding authors

^a CICECO – Aveiro Institute of Materials, Department of Chemistry, University of Aveiro, 3810-193 Aveiro, Portugal
E-mail: lmafra@ua.pt

^b Department of Chemical and Environmental Engineering, University of Oviedo, Av. Julián Clavería 8, 33006 Oviedo, Spain

^c Department of Chemistry, University of Iceland, Science Institute, Dunhaga 3, 107 Reykjavik, Iceland

Abstract

This comprehensive review describes recent advancements in the use of solid-state NMR-assisted methods and computational modeling strategies to unravel gas adsorption mechanisms and CO₂ speciation in porous CO₂-adsorbent silica materials at the atomic scale. This work provides new perspectives for the innovative modifications of these materials rendering them more amenable to the use of advanced NMR methods.

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DOI: https://doi.org/10.1039/D3CC05942A
Article type: Feature Article
Submitted: 05 Dec 2023
Accepted: 08 Mar 2024
First published: 15 Mar 2024
This article is Open Access

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Chem. Commun., 2024,60, 4015-4035

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Unravelling the structure of CO₂ in silica adsorbents: an NMR and computational perspective

M. Sardo, T. Morais, M. Soares, R. Vieira, M. Ilkaeva, M. A. O. Lourenço, I. Marín-Montesinos and L. Mafra, Chem. Commun., 2024, 60, 4015 DOI: 10.1039/D3CC05942A

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Unravelling the structure of CO₂ in silica adsorbents: an NMR and computational perspective

Abstract

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Unravelling the structure of CO₂ in silica adsorbents: an NMR and computational perspective

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