Affiliation:
1. Organic Nano Electronic Group, Department of Materials Engineering, Indian Institute of Science, Bangalore-560012, India
Abstract
The graph shows vdW gap values for TaS2's 1T and 2H phases using different XC functionals, compared with experimental data. It evaluates the performance of these functionals for vdW TMDs, including AB2 (A = Nb, Ta; B = S, Se, Te).
Funder
University Grants Commission
Publisher
Royal Society of Chemistry (RSC)