Fig. 5: Projected density of states (PDOS).

PDOS of Ni and Mn d-orbitals in the pristine LNMO (003) surface at the delithiation levels of a x = 0 and b x = 0.4, and in the S-substituted LNMO (003) surface at the delithiation levels of c x = 0 and d x = 0.4. The dashed vertical line indicates the Fermi level (E_f).