近日，课题组博士生刘森论文“Optimizing selective CO₂ adsorption through isoreticular double  interpenetration in MOFs: Synergistic enhancement of capacity, selectivity,  and thermal stability”被Materials Today Physics（2025中科院SCI二区TOP，IF=9.7）接收！

Abstract

The severe threat posed by CO₂ emissions to environmental sustainability has intensified the demand for high-  performance adsorbents. Herein, a series of metal-organic frameworks (MOFs) with varied ligand lengths (S, M,  L, XL, and XXL) were constructed, along with their corresponding isoreticular double interpenetrated structures  (S-IDI, M-IDI, L-IDI, XL-IDI, and XXL-IDI) for efficient and selective CO₂ adsorption. The results show that  interpenetrated frameworks exhibit enhanced adsorption capacity, selectivity, dynamic separation efficiency,  and thermodynamic stability. The interpenetration creates synergistic effect among adsorption sites, yielding a  remarkable CO₂ uptake of 225.12 cm³ cm^-3 for M-IDI-2C (pore size modified structure from M-IDI), surpassing  the corresponding non-interpenetrated structures. Remarkably, the CO₂/CH₄ and CO₂/N₂ adsorption selectivity  were drastically increased from 55.36 to 107.28 in M to 3308.61 and 7778.83 in M-IDI at 298 K and 1.0 bar.  Breakthrough simulations further confirmed superior dynamic separation behavior, with prolonged CO₂ reten tion times (from 26.67 in L to 120.67 in L-IDI) and enhanced dynamic separation selectivity (from 27.82 to 31.53  to 52.53 and 77.06 for CO₂ over CH₄ and N₂). In addition, the interpenetrated frameworks exhibit strengthened  host-guest interactions, as evidenced by substantially increased isosteric heat of adsorption, Coulombic in teractions, and adsorption energy. The interpenetrated structures also display improved thermal stability at  elevated temperatures. This study demonstrates isoreticular double interpenetration as a powerful and gener alizable strategy for engineering high-performance CO₂ adsorbents, offering fundamental insights for the rational  design of advanced gas separation materials.

https://doi.org/10.1016/j.mtphys.2025.101914