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

Author:

Sardo Mariana1ORCID,Morais Tiago12,Soares Márcio1,Vieira Ricardo1ORCID,Ilkaeva Marina13ORCID,Lourenço Mirtha A. O.1ORCID,Marín-Montesinos Ildefonso1ORCID,Mafra Luís1ORCID

Affiliation:

1. CICECO – Aveiro Institute of Materials, Department of Chemistry, University of Aveiro, 3810-193 Aveiro, Portugal

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

Recent advancements in the combined use of solid-state NMR-assisted methods and computational modeling strategies are highlighted to unravel gas adsorption mechanisms, and CO2 speciation in porous CO2-adsorbent silica materials at the atomic scale.

Funder

H2020 European Research Council

Fundação para a Ciência e a Tecnologia

European Regional Development Fund

Ministerio de Ciencia, Innovación y Universidades

Publisher

Royal Society of Chemistry (RSC)

Reference154 articles.

1. Sixth Assessment Report, Intergovernmental Panel on Climate Change (IPCC AR6 SYR), 2023

2. IPCC, IPCC Special Report on Carbon Dioxide Capture and Storage, Cambridge University Press, Cambridge, United Kingdom and NY, USA, 2005, pp. 297–348

3. IEA – International Energy Agency, Global Energy Review: CO2 Emissions in 2021, 2022

4. A comparative review of performance of nanomaterials for Direct Air Capture

5. Efficient synthetic approach for nanoporous adsorbents capable of pre- and post-combustion CO2 capture and selective gas separation

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