Theoretical exploration of the multifunctional applications of Sc2CT2 (T = F, O) MXenes: p–n junction diodes, field effect transistors, and phototransistors

Abstract

This study systematically examines the electronic and mechanical properties of two-dimensional MXene Sc2CT2 (T = F, O) monolayers and investigates the electronic transport and optoelectronic properties of several nanodevices, including p–n junction diodes, field-effect transistors (FETs), and phototransistors. The results demonstrate that Sc2CT2 exhibits robust dynamic, thermal, and mechanical stabilities, with moderate bandgaps of 1.72 eV (Sc2CF2) and 2.04 eV (Sc2CO2), positioning it as a promising semiconductor for nanoelectronics. The p–n junction diodes of Sc2CT2 monolayers demonstrated significant rectification effect and electrical anisotropy, with Z-type Sc2CF2 diodes achieving a current density of 2000 mA/mm under reverse bias. In addition, the FETs exhibit gate-voltage-modulated current variations. Also, the Sc2CT2 monolayers and phototransistors show good photoelectric responses in the visible and ultraviolet regions. Notably, the Sc2CO2 phototransistors achieve isotropic photocurrents up to 0.6 mA/mm² in the ultraviolet region. These findings underscore Sc2CT2's multifunctional potential in next-generation nanodevices, providing theoretical insights for optimizing MXene-based semiconductor designs.