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The surface composition of charged Lennard-Jones clusters A$_N^{n+}$,composed of N particles (55 \leq N \leq 1169) among which n are positivelycharged with charge q, thus having a net total charge Q = nq, is investigatedby Monte Carlo with Parallel Tempering simulations. At finite temperature, thesurface sites of these charged clusters are found to be preferentially occupiedby charged particles carrying large charges, due to Coulombic repulsions, butthe full occupancy of surface sites is rarely achieved for clusters below thestability limit defined in this work. Large clusters (N = 1169) follow the sametrends, with a smaller propensity for positive particles to occupy the clustersurface at non-zero temperature. We show that these charged clusters ratherbehave as electrical spherical conductors for the smaller sizes (N \leq 147)but as spheres uniformly charged in their volume for the larger sizes (N =1169).

Charge localization in multiply charged clusters and their electrical properties: Some insights into electrospray droplets