NMR Studies of Adsorption and Diffusion in New Materials for CO2 Capture
Alex Forse a
a University of Cambridge, GB
Proceedings of Atomic-level characterization of hybrid perovskites (HPATOM)
Online, Spain, 2021 January 26th - 28th
Organizers: Dominik Kubicki and Amita Ummadisingu
Invited Speaker, Alex Forse, presentation 021
Publication date: 14th January 2021

Carbon capture and storage an important technology that must be rapidly deployed to tackle the global warming crisis. Amine-functionalized metal-organic framework (MOFs) are promising adsorbents that can selectively capture CO2 at point sources, but questions remain regarding the molecular mechanisms of gas adsorption and diffusion in these materials. We have developed in situ NMR methods to study the adsorption and diffusion of CO2 in these adsorbents. The combination of solid-state NMR experiments on gas-dosed samples and density functional theory calculations have revealed a rich chemistry with several different CO2 capture mechanisms elucidated. Finally we show how residual chemical shift anisotropies of pore-confined CO2 can be used to study the extremely anisotropic diffusion of CO2 in MOF materials featuring 1-dimensional pores.

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