Fig. 4: Relationship between band structure of TM@CdS semiconductor and redox potentials of H2S and H2O decomposition computed with the HSE06 hybrid functional.
From: Computational screening of transition metal-doped CdS for photocatalytic hydrogen production
The order of the TM dopant from left to right: 3d series (highlighted in yellow), 4d series (highlighted in green), and 5d series (highlighted in blue). Data are available in Zenodo.
