where C s hkl is the surface capacitance, E PZC hkl is the potential of zero charge (PZC), and γ PZC hkl is the surface tension at zero-charge of a (hkl) surface. The needed quantities can be obtained from potential-dependent grand canonical DFT calculations and were adopted from Hagopian et al. . An overview of the used data set and the obtained nanoparticle shapes are given in Table and Fig. , respectively.