Abstract
In this work, we have investigated the electron transport properties of MXene devices employing nonequilibrium Green’s functions in combination with the density functional theory. Here, the two-dimensional (2D) and one-dimensional (1D) devices are built on Ti2CO2 materials, in which one lead is alloyed by V, and the other is by Sc. Ab initio calculations show that there exist rectifying behaviors for both 1D and 2D systems, and the Ti2CO2 nanoribbon devices show stronger rectification ratio than the 2D counterpart. The current results indicate that V-doped and Sc-doped electrodes may be a practical way to achieve the current rectification of MXene devices. Finally, the I-V curves for 2D Ti2CO2 under different gate voltage are studied as well. According to data, the currents in a doped Ti2CO2-based device are found to be controllable under the dual-gate induced electric field.
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