Review
Open access
Nov 2025
Exchange-correlation functionals in 2D materials: applications, challenges, and limitations
The rapid development of two-dimensional (2D) materials has reshaped modern nanoscience, offering properties that differ fundamentally from their bulk counterparts. As experimental discovery accelerates, the need for reliable computational techniques has become increasingly important. Within the framework of density fu...
Wei Jiang, Ahsan Javed, Mahvish Shaheen et al.
· Nanotechnology · 1 citation