Figure 3.
The location of VBM and CBM calculated with HSE06 functional of MPS3 and MPSe3 monolayers. The redox potentials of water splitting at pH = 0 (orange dashed lines) and pH = 7 (cyan dashed lines) are shown for comparison.
The location of VBM and CBM calculated with HSE06 functional of MPS3 and MPSe3 monolayers. The redox potentials of water splitting at pH = 0 (orange dashed lines) and pH = 7 (cyan dashed lines) are shown for comparison.