Strain-tunable electronic transport in MXenes for sensing and stable electronics

Abstract In this paper, we present strain-tunable electronic transport in two functionalized MXenes, Ti₃C₂O₂ and Sc₃C₂F₂, using a parametric tight-binding Hamiltonian within the Landauer–Büttiker formalism. The electrode self-energies were obtained via the Sancho-Rubio recursive method, which ensures stable numerical behavior of semi-infinite electrodes. Uniaxial tensile/compressive strains were applied in the in-plane and out-of-plane directions, and their effects on the density of states (DOS), transmission, and current-voltage (I-V) response were analyzed. The results indicate that the effects of strain on the Ti 3 C 2 O 2 structure cause a decrease in the band gap, an increase in conductivity, and a sensitivity of current to strain, making it a suitable candidate for pressure sensors. In contrast, Sc 3 C 2 F 2 is resistant to strain, making it a good candidate for reliable flexible electronics.