Boyd, Peter G.; et al. (2019): Data-driven design of metal–organic frameworks for wet flue gas CO 2 capture

Boyd, Peter G.; Chidambaram, Arunraj; García-Díez, Enrique; Ireland, Christopher P.; Daff, Thomas D.; Bounds, Richard et al. (2019): Data-driven design of metal–organic frameworks for wet flue gas CO 2 capture. In Nature 576 (7786), pp. 253–256. DOI: 10.1038/s41586-019-1798-7.

“Here we show that data mining of a computational screening library of over 300,000 MOFs can identify different classes of strong CO₂-binding sites—which we term ‘adsorbaphores’—that endow MOFs with CO₂/N₂[nbsp]selectivity that persists in wet flue gases.”

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