Tomi Ketolainen and František Karlický published manuscript in Journal of Material Chemistry C

Optical gaps and excitons in semiconducting transition metal carbides (MXenes). (RSC) Tomi Ketolainen and František Karlický Abstract We use time-dependent density functional theory together with the HSE06 hybrid functional to investigate the optical and excitonic properties of two-dimensional transition metal carbides, MXenes. We determine reliable optical gaps, optical absorbance spectra, and exciton features for a…