We present a unified thermodynamic description of the breathing transitions between large pore (lp) and narrow pore (np) phases of MIL-53 (Cr) observed during the adsorption of guest molecules and the mechanical compression in the process of mercury porosimetry. By revisiting recent experimental data on mercury intrusion and in situ XRD during CO(2) adsorption, we demonstrate that the magnitude...

It is a great challenge to trapping novel Bi2WO6/MIL-53(Al) (BWO/MIL) nanocomposites with excellence catalytic activity by the trial-and-error method in vast untapped synthetic space. The degradation rate of dyes Rhodamine...

A postsynthetic modification method was used to prepare thiol-functionalized metal-organic frameworks (MOFs) by the amidation of mercaptoacetic acid with the amine group, which is present in the frameworks of NH2-MIL-53(Al). By doing this, the thiol group has been successfully grafted on the MOF, which perfectly combined the highly developed pore structures of the MOF with the strong coordinati...

The structural and dynamical properties of water in the nanopores of the MIL-53(Cr) metal-organic framework are examined using classical and quantum molecular dynamics simulations. The results indicate that, depending on the number of molecules adsorbed per unit cell as well as on the shape of the nanopores, the explicit inclusion of nuclear quantum effects can either enhance or inhibit the mol...

Functionalizing the well-known MIL-53(Al) metal-organic framework with amino groups increases its selectivity in CO(2)/CH(4) separations by orders of magnitude while maintaining a very high capacity for CO(2) capture.

FTIR spectra of (12)CO2 and (12)CO2 + (13)CO2 mixtures adsorbed on MIL-53(Al) reveal the formation of highly symmetric dimeric (CO2)2 species connected to two structural OH groups.

Gas adsorption in pores of flexible metal-organic frameworks (MOF) induces elastic deformation and structural transitions associated with stepwise expansion and contraction of the material, known as breathing transitions between large pore (lp) and narrow pore (np) phases. We present here a simple yet instructive model for the physical mechanism of this enigmatic phenomenon considering the adso...