Fig. 3: Amorphous model analysis.
From: Mixed hierarchical local structure in a disordered metal–organic framework
a Top: accessible (striped) and non-accessible (filled) surface areas to a nitrogen probe (radius 1.82 Å) for all three amorphous model types; only the MRO model contains accessible surface area. Error bars show the standard deviation calculated from five packings of each model type. Bottom: average pore size distribution for the SRO (blue), MIX (purple) and MRO (red) models, averaged over the five simulations. b Visual representation of the pore size distribution for the SRO (left), MIX (centre) and MRO (right) systems from a representative model of ~70 Å in length. c Calculated PDFs for the SRO (blue), MIX (purple) and MRO (red) models. Right-hand panel shows the region corresponding to the tetrahedra, with the intensity scaled by a factor of three. Correlations in this region become more apparent as the proportion of tetrahedra in the model is increased.
