An ideal adsorbent for separation requires optimizing both storage capacity and selectivity,
but maximizing both or achieving a desired balance remain challenging. Herein, a de‐linker …

Electronic structure calculations and simulations of H2 sorption were performed in four
members of the M-MOF-74 series: Mg-MOF-74, Ni-MOF-74, Co-MOF-74, and Zn-MOF-74 …

This work provides an up-to-date overview of recent developments in neutron spectroscopic
techniques and associated computational tools to interrogate the structural properties and …

Hydrogen recovery from ammonia purge gas is a desirable method to relieve the pressure of
increasing demand for hydrogen. Metal-organic frameworks (MOFs) are promising …

Simulations of CO2 sorption were performed in five members of the previously discovered
SIFSIX series: SIFSIX-1-Cu, SIFSIX-2-Cu, SIFSIX-2-Cu-i, SIFSIX-3-Zn, and SIFSIX-3-Cu …

A combined experimental, inelastic neutron scattering (INS), and theoretical study of H2
adsorption was carried out in Cu-ATC and Cu-BTC, two metal–organic frameworks (MOFs) …

Developing efficient adsorbents for acetylene purification from multicomponent mixtures is of
critical significance in the chemical industry, but the trade-off between regenerability and …

To achieve optimal performance in gas storage and delivery applications, metal–organic
frameworks (MOFs) must combine high gravimetric and volumetric capacities. One potential …

Simulations of CO2 and H2 sorption were performed in UTSA-20, a metal–organic
framework (MOF) having zyg topology and composed of Cu2+ ions coordinated to 3, 3 …

Simulations of H2 sorption were performed in Cu-MOF-74, a recent addition to the M-MOF-
74 series. Electronic structure calculations revealed that the Cu2+ ions exhibit an unusually …