PCN-250 under Pressure: Sequential Phase Transformation and the Implications for MOF Densification Shuai Yuan, Xing Sun, Jiandong Pang, Christina Lollar,

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PCN-250 under Pressure: Sequential Phase Transformation and the Implications for MOF Densification Shuai Yuan, Xing Sun, Jiandong Pang, Christina Lollar, Jun-Sheng Qin, Zac Perry, Elizabeth Joseph, Xuan Wang, Yu Fang, Matheiu Bosch, Di Sun, Dahuan Liu, Hong-Cai Zhou Joule DOI: 10.1016/j.joule.2017.09.001 Copyright © 2017 Terms and Conditions

Figure 1 Structural Transformation of PCN-250 under Pressure (A–D) Structure of (A) Fe3-μ3-oxo cluster; (B) ABTC linkers with different configurations; (C) comparison of the crystal structures of PCN-250, PCN-250′, and PCN-250″; (D) scheme representation of the structural transformation including the inclination of unit cell and flipping of linkers. Joule DOI: (10.1016/j.joule.2017.09.001) Copyright © 2017 Terms and Conditions

Figure 2 Structural Change in PCN-250 Proved by PXRD Patterns (A) PXRD patterns of extruded PCN-250 under different pressures. (B) A comparison of experimental and simulated PXRD patterns based on single-crystal structures. The major changes are highlighted. Joule DOI: (10.1016/j.joule.2017.09.001) Copyright © 2017 Terms and Conditions

Figure 3 Gas Adsorption Studies (A and B) N2 adsorption isotherms (A) and total N2 uptake (77 K, 1 bar) of PCN-250 pellets compressed under different pressures (B). Each sample was prepared three times for N2 total uptake measurements. Error bars represent SD. (C and D) High-pressure CH4 adsorption isotherms (C) and total CH4 uptake (298 K, 65 bar) of different PCN-250 pellets (D). The volumetric CH4 uptake was calculated based on the density of PCN-250 pellets. Joule DOI: (10.1016/j.joule.2017.09.001) Copyright © 2017 Terms and Conditions

Joule DOI: (10.1016/j.joule.2017.09.001) Copyright © 2017 Terms and Conditions