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. 2023 Jul 18;14(29):6658–6665. doi: 10.1021/acs.jpclett.3c01524

Figure 2.

Figure 2

PXRD similarity score (S) and surface area ratio (SA) for four representative MOFs at different defect concentrations (Conc.): (a) HKUST-1, (b) UiO-66, (c) IRMOF-1, and (d) ZIF-8. All structures were DFT-optimized.