Fig. 2: Schematic of the energy level alignment (ELA) for pristine TMDC/metal junctions. | npj 2D Materials and Applications

Fig. 2: Schematic of the energy level alignment (ELA) for pristine TMDC/metal junctions.

From: Origin of contact polarity at metal-2D transition metal dichalcogenide interfaces

Fig. 2

Schematics are shown for (a, b, c) MoS2/Au and (d, e, f) MoS2/Ag. a, d show the ELA obtained by the alignment of the isolated materials, taking into account the calculated dipole correction (Δdipole). b, e show the DFT ELA at the interfaces. c, f show the GW quasiparticle (QP) ELA at the interfaces. The valence band maximum and conduction band minimum levels are indicated by blue and yellow lines, respectively. Energies are given in eV, referenced to the Fermi level in each case (dashed grey lines). Atomic structures are shown as insets: Au (gold); Ag (silver); Mo (purple); S (yellow).

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