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

TL;DR

This paper explores how strain affects the electronic properties of two MXenes, showing one is good for sensors and the other for stable flexible electronics.

Contribution

The study introduces strain-tunable electronic transport in MXenes using a parametric tight-binding model and Landauer–Büttiker formalism.

Findings

Ti₃C₂O₂ shows decreased band gap and increased conductivity under strain, suitable for pressure sensors.

Sc₃C₂F₂ remains stable under strain, making it ideal for reliable flexible 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 Ti3C2O2 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, Sc3C2F2 is resistant to strain, making it a good candidate for reliable flexible electronics.

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