A porous coordination framework material, Zn4O(BDC)(BTB)4/3 (labeled 1 for simplification), has been prepared and applied to hydrogen storage. Its storage capacity has been measured, and the absolute and excess H2 adsorption uptakes reach 6.23 and 5.43 wt % at 77 K and 20 bar, respectively. Moreover, a multiscale simulation method, which combines first-principles calculation and grand canonical Monte Carlo simulation, has been used to evaluate H2 adsorption in this material. The simulation results successfully reproduce the experimentally determined hydrogen uptake in 1 at T = 77 K and in the pressure range 0−20 bar. Furthermore, the simulation predicts that the hydrogen capacity in 1 reaches 9.5 wt % at 77 K and 100 bar, which is among the highest reported in the literature to date. Clearly, this material is a promising adsorbent for hydrogen storage.

A coordination polymer with 74% extra-framework volume is prepared by predictable linking of the honeycomb network to generate a framework-structured solid designed with two distinct connecting ligand...

The 2025 Nobel Prize in Chemistry has been awarded to Susumu Kitagawa, Richard Robson and Omar M. Yaghi “for the development of metal–organic frameworks.”

The Nobel Prize in Chemistry 2025 was awarded jointly to Susumu Kitagawa, Richard Robson and Omar M. Yaghi "for the development of metal–organic frameworks"

1. a remark that is added to a sentence, often to provide an explanation or…

Accurately characterising the hydrogen sorption properties of materials is critical to improving reproducibility in hydrogen storage material research. This review covers the main techniques used for...

An improved synthesis process was developed for large-scale production of a highly porous material, [Cu3(BTC)2(H2O)x]n, i.e., polymeric copper(II) ben…