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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 = Efermi − ϕvacEfermi is the Fermi energy of the total system (MoS2 + metal substrate), and ϕvac 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

  Metal substrate Al (111) Pt (111)
Structural parameters Lattice mismatch (%) 4.38 1.39
Distance h (Å) 2.517 2.218
Electronic parameters Work function (eV) 4.680 5.265
SBH (eV) 0.1423 0.506