Fig. 4.

Asymmetric dipolar contributions at the MoS₂/Graphene interface. a, b Induced charge density $\Delta \rho \left(10^{-4}{\mathrm{e}}^{-3}\right)$ (left y-axis) and electric polarization $∣P\left(10^{-3}{\mathrm{Cm}}^{-2}\right.∣$ (right y-axis) for 1L MoS₂/1L Graphene and 3L MoS₂/3 L Graphene, respectively. The applied electric field is ±1.0 V nm⁻¹. Blue (green) curves correspond to positive (negative) fields. Positive (negative) fields go towards graphene (MoS₂), and vice versa. The MoS₂/Graphene interface is highlighted to show the unbalanced formation of electric dipole moments between graphene and MoS₂ accordingly with the number of layer layers used to form the heterostructures. (c-d) Difference in electrostatic potential $\Delta V\left(\mathrm{eV}\right)=V\left(E_{\mathrm{ext}}\ne 0\right)-V\left(E_{\mathrm{ext}}=0\right)$ in the slabs with and without the external electric field of ±1.0 V nm⁻¹, and their corresponding response field $\Delta E_{\rho }\left(V{\mathrm{nm}}^{-1}\right)$ for 1L MoS₂/1L Graphene and 3L MoS₂/3L Graphene, respectively. The absolute values of $\mid \Delta E_{\rho }\mid$ and $\mid \Delta V\mid$ are taking in (c) and (d) for comparison at the same side of the plot. Geometries for all systems are highlighted at the background of each panel in opacity tone