To resolve the discrepancy between the experimental and computational results on the OER activity, we need to consider which elementary steps determine the PDS. Without MoS ; this change in the rate-determining step is also supported by the experimental Tafel slope analysis for OER as discussed above. We attribute this change in the PDS to the electronic interaction between LDH and MoS 2 QDs which enhances the OER activity by reducing the ∆G of the OOH* formation step. For instance, the introduction of MoS 2 on Ni 7 Fe 2 Co 1 does not notably impact the formation energy of *O but the formation of *OOH is facilitated at the Fe site, which changes the PDS from *O to *OOH (Figure ).