INTERCALATION IN LAYERED MATERIALS
Chemical or electrical doping is one of the efficient ways of improving and controlling carrier transport, density, and charge injection in materials. One of such means of achieving this is via intercalation. For example, intercalating Li into layered transition metal dichalcogenides (TMDs) have been for battery applications. in a variety of such systems and are exploring various organometallic molecules, e.g., metallocene as possible to tune the properties of TMDs. Initial first-principles calculations reveal that the electronic properties of vertically stacked 2D TMDs, e.g. HfS2 could be tune with intercalating, which behaves like pseudo-alkali metals, transferring electrons to the characterized by a shift of the Fermi level towards the empty states and an increase of the current density. The process of evolving in the vertically stacked van Waals that led to the doping is charge transfer from the to the host material. We are exploring other systems.