Correction: A rational computational study of surface defect-mediated stabilization of low-dimensional Pt nanostructures on TiN(100).

Fig. 2 Average binding energy of Pt for 71 different Pt nanostructures on the TiN(100) surface with different concentrations of surface N or Ti vacancies (xv), which refers to the number of vacancies per possible vacancy sites. (a) The average binding energy per Pt atom, as calculated according to eqn (1), versus Pt surface coverage (Y) for up to 3 adlayers (36 Pt atoms) of Pt on the clean TiN(100) surface. Light, medium, and dark blue colors indicate one, two, and three atomic-layer thickness of the Pt nanostructures, respectively. (b) The surface vacancy formation energies of surface N and Ti vacancies on TiN(100), as calculated using eqn (2). (c) The average binding energy per Pt atom versus surface vacancy concentration at TiN(100) for the Pt/TiN nanostructures (as shown in Fig. 1a). The gray filled circle represents the binding energy of a nano-layer of Pt on the defect-free TiN(100) surface. Orange and blue symbols distinguish the considered N-lean and N-rich conditions, respectively. Open circles denote a Pt nano-layer on TiN(100) with surface N vacancies, and open squares for those with surface Ti vacancies. Filled red triangles show the single Pt atom results from ref. 16 for comparison: the upright red triangle represents that of a single Pt atom adsorbed as a substitutional atom at an surface N vacancy ( 1.11 eV), and the inverse red triangle for that at a surface Ti vacancy site (2.33 eV) under N-lean conditions. All possible surface vacancy configurations within our p(3 3) surface supercell are considered in this figure.