“…This analysis is also compatible with the fact that Fe has the highest energy cost, calculated by our DFT, to replace an Al atom in the octahedral sites, favoring its incorporation into the material structure mostly as segregated inclusions. It is important to stress that previous works demonstrated that heat treatment and acid leaching can remove some impurities from natural phyllosilicates [70,71], thus, this process could potentially be applied to our material to purify and further increase the bandgap energy (at least up to 4.4 eV, as suggested by our DFT calculation), restoring some of the pristine characteristics of the crystal (these suggested processes are out-ofthe scope of the current work). This is desired for applications using clinochlore as a suitable and alternative 2D insulating material, highly needed for the development of nanoelectronic devices [25].…”