For instance, the relatively high distorted geometry of the NiSPhos, CuSPhos, and ZnSPhos system (resembling a quasi-trigonal pyramid geometry) is associated with a decrease in the magnitude of the EELEC term, this is in the stability gained by electrostatic effects. Otherwise, the adatom-doped TMAPhos systems hold a trigonal pyramid geometry, where the geometric distortion can be simply attributed to the change in the dopant elevation (dh) with respect to the upper phosphorene sublattice. Fig. shows the dh parameter (solid green line) and the magnitude of the EELEC term (solid blue line) in the TMAPhos systems. As representative cases, the FeAPhos and CoAPhos systems show the lowest dopant elevations (1.05 and 1.07 Å, respectively), resulting in the lowest EELEC values (-3.7 eV). Conversely, the ZnAPhos system with a dopant elevation of 2.08 Å shows the highest EELEC value of -1.40 eV. The linear correlation between these properties is clear in Fig. , which is consistent with the 1/r 1-2 dependence of electrostatic interactions.