Carbon dioxide capture is essential to achieve net-zero emissions. A hurdle to the design of improved capture materials is the lack of adequate tools to characterise how CO adsorbs. Solid-state nuclear magnetic resonance (NMR) spectroscopy is a promising probe of CO capture, but it remains challenging to distinguish different adsorption products. Here we perform a comprehensive computational investigation of 22 amine-functionalised metal-organic frameworks and discover that O NMR is a powerful probe of CO capture chemistry that provides excellent differentiation of ammonium carbamate and carbamic acid species. The computational findings are supported by O NMR experiments on a series of CO-loaded frameworks that clearly identify ammonium carbamate chain formation and provide evidence for a mixed carbamic acid - ammonium carbamate adsorption mode. We further find that carbamic acid formation is more prevalent in this materials class than previously believed. Finally, we show that our methods are readily applicable to other adsorbents, and find support for ammonium carbamate formation in amine-grafted silicas. Our work paves the way for investigations of carbon capture chemistry that can enable materials design.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9755136PMC
http://dx.doi.org/10.1038/s41467-022-35254-wDOI Listing

Publication Analysis

Top Keywords

ammonium carbamate
16
capture chemistry
12
carbamic acid
12
carbon capture
8
nmr spectroscopy
8
probe capture
8
capture
6
revealing carbon
4
chemistry 17-oxygen
4
nmr
4

Similar Publications

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!