Fig. 2: Structural features of monolayer salt nanostructures.

Radial distribution functions (RDFs) (a, c) and angle distribution function (ADFs) (b, d) for NaCl (top) and LiCl (bottom) monolayer nanostructures. The black and red curves were obtained from classical molecular dynamics (MD) and ab initio molecular dynamics (AIMD) simulations, respectively.