Figure 3

(a) Top view of 2H-MoS2/2H-NbS2 heterostructures (alternating layers of NbS2 and MoS2) with ions at the lowest energy binding site (Oh/H site). Charges transferred from different atoms in (b) Na-ion intercalated and (c) K-ion intercalated heterostructures are computed using Bader analysis. A positive value implies that the atom lost electrons, while a negative value indicates that the atom has gained electrons.