Figure 6: Orbital states.

Partial density of states of (a) 2H- and (b) 1T’- monolayer MoS₂. Isosurface (0.003 e/ų) of the charge distributions of (c) 2H- and (e) 1T’- MoS₂ doped with 1.00 e/f.u. Within crystal field theory, the Mo 4d orbitals (d) D_3h- and (f) O_h-MoS₆ unit will split into three and two groups, respectively.