The induced electrostatic or polarization term EPOL accounts for the on-fragment relaxation of the metal atoms or phosphorene due to the presence of the nuclei and electrons of the other; because this polarization corresponds to the effects of fragment relaxations, they always make attractive contributions to the binding energy. In the case of the adatom-doped TMAPhos systems, the EPOL energy show a strong correlation to the electron density at the bond-critical points (BCP) of the TM-P atom-atom interactions. The ρBCP values are related to the nature and strength of the bonding, which also indicates how polarized the interaction is. For instance, the C-C covalent bond is lowlily polarized (high ρBCP values); conversely, a coordinate covalent bond (closed-shell interaction) is highly polarized (low ρBCP values). Therefore, the polar character of adatom-phosphorene interactions also determines its stability; in other words, the polarization effects by dopant atoms are exerted-locally to its bonded P atoms in phosphorene. In this framework, Fig. shows the magnitude of the EPOL term and average ρBCP values (<ρBCP>) of the dopant-P interactions in the adatom-doped TMAPhos nanosheets. The FeAPhos, CoAPhos, and NiAPhos systems show <ρBCP> values of ~0.10 e/Bohr 3 , which are in the range of the highly polarized interactions (coordinate covalent bonds). In this regard, the magnitude of the EPOL energy is increased as the <ρBCP> value is increased (Fig. ). Conversely, the lowest stable system ZnAPhos shows a low <ρBCP> value of ~0.03 e/Bohr 3 , which is consistent with a non-covalent interaction of electrostatic character; as a consequence of the non-covalent state, the magnitude of the EPOL value is decreased (EPOL=-0.62 eV). It is important to point out that the EPOL terms also can be associated with the dh parameters since the ability of one fragment to polarize another fragment is depending on the distance between them. In addition, the relation of the EPOL term to chemical and structural properties of the substitutionally-doped systems is less intuitive due to the dopants and phosphorene are in close contact; in this scenario, the tagging of electrons to fragments is ambiguous and similar difficulties arise in the definition of intra-fragments .