We made extensive tests for the choice of the slab model by changing the slab thickness, the number of ﬁxed atomic layers within, and the size of the vacuum spacing, provided that the (110) facet possesses 4×2 cell symmetry to avoid any interaction between the periodic images of Pt cluster adsorbates.
A theoretical analysis of small Pt particles on rutile TiO$_2$(110) surfaces
FIG. 4. a) Grand free energies for Ar at T = 130K (Φ = 0.42). b) Number of atoms per unit length (solid line) and dN/dµ (dashed line, in arbitrary units).
Simple Model of Capillary Condensation in porous media