Dear all,

One way to decide the n or p-type nature of the monolayer is from the Fermi level position. If E(f) - E(CBM) less than E(f) - E(VBM) then the material will be n-type. For well know DTMC HfS2 I am getting the following results.

E(f) - E(CBM) = -1.59

E(f) - E(VBM) = 0.124

Mean the E(f) - E(VBM) is greater than E(f) - E(CBM) so it mean it is p-type. While HfS2 is n-type. If any expert helps me out how to correct my results.