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In GO/MoSe2 semiconductor heterostructure, we have demonstrated a subtlecontrol on the doping dynamics by modulating interlayer coupling through thecombination of strain-reducing relative rotation of the constituting layers andvariation of ligand type and concentration. By first-principles calculationsincorporating spin-orbital coupling, we have investigated the impact ofvariable interlayer coupling in introducing non-collinear magnetic behaviour inthe heterostructure. The outcome of varying carrier type and their respectiveconcentrations are investigated by static as well as time dependent densityfunctional calculations, which indicates presence of optical anisotropy andtime-dependent optical phenomena like exciton quenching and band-gaprenormalization. Performance of such heterostructures as channel material indevices with top and edge metal contacts is analyzed. Our self-consistentquantum transport calculations have evinced that the nature ofinterface-induced variation in doping is extrapolated for devices only in thecase of top contacts. The edge contact, although exhibits a bettertransmission, are inefficient for sensing the ligand-induced doping modulationintroduced via vertical inter-layer charge transfer.

Intricate modulation of interlayer coupling at GO/MoSe2 interface: application in time-dependent optics and device transport