Abstract
The hybridization of MXene materials and transition metal dichalcogenides has a significant impact on heterojunction properties. The transport properties and electronic structure of heterojunctions of semiconducting MoS2 and metallic MXene Nb2C were studied by integrating density functional theory with non-equilibrium Green’s function theory. The hybridization between Nb2C and MoS2 makes the tunneling barrier between the two layers disappear, which can enhance the electron injection efficiency from the Nb2C to the MoS2. Moreover, the Nb2C/MoS2 heterojunction exhibits a conventional n-type Schottky contact with a barrier height of 0.14 eV, which is significantly lower than the barrier height of 0.29 eV at the Ti/MoS2 junction. These factors result in a field-effect transistor with a low contact resistance of 138 Ω·μm and a higher current of 1.09 mA μm−1 at a bias voltage of 0.3 V applied between the left and right electrodes. Following the application of gate voltage, the I on/I off ratio reaches 1266.
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