The destabilizing energy in TMSPhos and TMAPhos systems mainly comes from the repulsive interaction due to volume exclusion effects EPAULI (up to 99%, Figures and). The destabilizing EPAULI energy is higher in the TMSPhos systems compared to those in the TMAPhos nanosheets (Table ), where the minimum EPAULI values are ~9.8 and ~3.7 eV, respectively.