Fig. 7: DFT simulations.

Schematic representations (top view and tilted) of the MIL frameworks with 0 (a), 4 (b) and 6 (c) ligands out of 12 ligands removed. A slight distortion of the pores can be seen in case c.

Schematic representations (top view and tilted) of the MIL frameworks with 0 (a), 4 (b) and 6 (c) ligands out of 12 ligands removed. A slight distortion of the pores can be seen in case c.