fig8
Figure 8. DFT of Co/Mo2N (A) Charge density difference between Co and MoN (yellow/blue regions indicate electron accumulation/depletion) and optimized Li2S configurations and binding energies on Co, MoN, and Co/MoN. (B) Gibbs free energy of LiPSs conversion on Co (111), MoN (200), and Co/MoN; insets: LiPSs adsorption geometries on each surface. Reproduced with permission from Ref.[83] Copyright 2023, Wiley-VCH.
