Table 1 Lattice mismatch was calculated using the lattice constant of MoS₂ (a = 5.514 Å). Distance h is the difference between the averaged z-position values of S and Al at the interface. Work function was computed by the equation, W = E_fermi − ϕ_vac, E_fermi is the Fermi energy of the total system (MoS₂ + metal substrate), and ϕ_vac is the vacuum potential of the system. SBH was calculated as mentioned in the legend of Fig. 3

From: Carrier Transport Properties of MoS₂ Asymmetric Gas Sensor Under Charge Transfer-Based Barrier Modulation