  In GO/MoSe2 semiconductor heterostructure, we have demonstrated a subtle
control on the doping dynamics by modulating interlayer coupling through the
combination of strain-reducing relative rotation of the constituting layers and
variation of ligand type and concentration. By first-principles calculations
incorporating spin-orbital coupling, we have investigated the impact of
variable interlayer coupling in introducing non-collinear magnetic behaviour in
the heterostructure. The outcome of varying carrier type and their respective
concentrations are investigated by static as well as time dependent density
functional calculations, which indicates presence of optical anisotropy and
time-dependent optical phenomena like exciton quenching and band-gap
renormalization. Performance of such heterostructures as channel material in
devices with top and edge metal contacts is analyzed. Our self-consistent
quantum transport calculations have evinced that the nature of
interface-induced variation in doping is extrapolated for devices only in the
case of top contacts. The edge contact, although exhibits a better
transmission, are inefficient for sensing the ligand-induced doping modulation
introduced via vertical inter-layer charge transfer.
