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

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

Chem Commun (Camb). 2024 Apr 9;60(30):4015-4035. doi: 10.1039/d3cc05942a.

Authors

Mariana Sardo¹, Tiago Morais^{1

2}, Márcio Soares¹, Ricardo Vieira¹, Marina Ilkaeva^{1

3}, Mirtha A O Lourenço¹, Ildefonso Marín-Montesinos¹, Luís Mafra¹

Affiliations

¹ CICECO - Aveiro Institute of Materials, Department of Chemistry, University of Aveiro, 3810-193 Aveiro, Portugal. lmafra@ua.pt.
² Department of Chemistry, University of Iceland, Science Institute, Dunhaga 3, 107 Reykjavik, Iceland.
³ Department of Chemical and Environmental Engineering, University of Oviedo, Av. Julián Clavería 8, 33006 Oviedo, Spain.

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.

Publication types

Review