Fig. 6: Adsorption energies on thepristine CdS (110) surface and TM@CdS surfaces.
From: Computational screening of transition metal-doped CdS for photocatalytic hydrogen production
Gibbs free energies (ΔG) for H2S and HS (a), and energies for H2O and OH (b). The dashed line was set to compare the results of TM@CdS systems with pristine CdS surface. Data are available in Zenodo.
