Two-dimensional TaS2 as a contact material for MXene Sc2CF2 semiconductors: a first-principles study

Tuan V Vu1,2, Phan T T Huyen3, Nguyen N Hieu4,5

  • 1Laboratory for Computational Physics, Institute for Computational Science and Artificial Intelligence, Van Lang University Ho Chi Minh City Vietnam tuan.vu@vlu.edu.vn.

RSC Advances
|October 22, 2025
PubMed
Summary

We computationally designed a stable 2D TaS2/Sc2CF2 heterostructure for electronics. This material exhibits tunable Schottky-to-ohmic contact behavior under electric fields, enabling barrier-free charge injection.