Unravelling the structure of CO<sub>2</sub> 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
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 CO 2 speciation in porous CO 2 -adsorbent silica materials at the atomic scale.
Topics & Concepts
AdsorptionSolid-stateSolid-state nuclear magnetic resonanceGenetic algorithmPorosityPerspective (graphical)Materials scienceChemistryNanotechnologyPhysical chemistryComputer scienceOrganic chemistryPhysicsNuclear magnetic resonanceArtificial intelligenceEvolutionary biologyBiologyAdvanced NMR Techniques and ApplicationsZeolite Catalysis and SynthesisMesoporous Materials and Catalysis