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. 2026 Aug 14;12(33):eaeg1691. doi: 10.1126/sciadv.aeg1691

Fig. 2. Crystallographic structure transformation and adsorption behavior of xylene isomers on Ni(BIC)2.

Fig. 2.

(A) Crystal structure of Ni(BIC)2 and the single-crystal–to–single-crystal (SCSC) transition of Ni(BIC)2 during xylene adsorption (color code: Ni, blue; C, gray; O, red; N, dark blue; H, white). The right figure is the Connolly surface of Ni(BIC)2 on the ab plane with a probe radius of 1 Å. (B) Single-component adsorption isotherms of PX vapor on Ni(BIC)2 at 303 to 393 K. (C) Single-component adsorption isotherms of MX on Ni(BIC)2 at 303 to 393 K. (D) Comparison of single-component vapor adsorption of xylene isomers at 393 K. (E) Adsorption equilibrium of binary solutions of PX/OX, PX/MX, and PX/EB on Ni(BIC)2 at 393 K, with a total capacity in a range of 1.70 to 1.76 mmol g−1. (F) Gas chromatograms of adsorbed phase on Ni(BIC)2 equilibrated with equimolar binary liquid mixtures of PX/MX, PX/OX, PX/EB, and quaternary mixture of PX/MX/OX/EB with a molar ratio of 22/50/22/6 at 393 K, as well as standard sample of EB, PX, MX, and OX, respectively. a.u., arbitrary units. (G) Comparison of SPX/(MX+OX)-PX capacity performance on zeolites, experimental MOFs, and HTCS MOFs. Data are collected from reported adsorbents (table S3), with the highest reported selectivity for each material adopted for comparison. Material names are numbered as listed in table S3.