posted on 2025-05-27, 04:01authored byAdway Gupta, Arunima Singh
Supplementary information contains tables detailing the electronic and structural properties of the selected materials, as well as calculation convergence parameters. It also includes figures of the QP band structures, electrostatic potentials for determination of band edges, schematics of structures, absorption coefficients and exciton binding energies. Finally, it includes further computational details for the determination of band edges, and absorption spectra using BSE.