[EELEC1/r1-2]. Otherwise, the crystal field theory states that the five d-orbitals of free TM atoms have the same energy. In the presence of a ligand (in this case, the ligand is phosphorene), dorbitals are perturbed by the coordination environment, inducing the energy splitting of d-orbitals due to the electrostatic environment of the ligand (attractions and repulsions) . Therefore, the distortion on the coordination geometry will affect the crystalline field on the TM atom, determining the EELEC values due to its dependence on the interatomic distances r1-2. Considering the above, Fig. shows that the geometrical distortion (gd) of the square pyramid geometry (solid orange line) affects the permanent electrostatic moments in the TMPhos nanosheets, and subsequently, the EELEC energy (solid blue line). In fact, the magnitude of the stability gained by electrostatic effects (EELEC) is decreased as the distortion increases (Fig. ).