Get access

Transport Diffusivity of CO2 in the Highly Flexible Metal–Organic Framework MIL-53(Cr)


  • This work was supported by French program ANR CO2 “NoMAC” (ANR-06-CO2-008). We thank the Institut Laue-Langevin (Grenoble, France) for the neutron beam time, Dr. M. M. Koza for his help, and the CINES for computational facilities.


original image

The diffusion mechanism of CO2 in the highly flexible metal–organic framework MIL-53(Cr) (see picture), which undergoes a structural transition between large- and narrow-pore forms, was explored by a combination of quasi-elastic neutron scattering measurements and molecular dynamics simulations. Normal one-dimensional diffusion in the large-pore form and single-file one-dimensional diffusion in the narrow-pore form were evidenced.

Get access to the full text of this article