In addition to changing the PDS from O * to OOH * , MoS 2 is also expected to change reaction kinetics. In particular, the constant potential DFT studies in Ref. indicate that the OOH * generation is the slowest and hence the rate-determining step of OER following the AEM mechanism on NiFe-LDHs. This indicates that even if O * formation would determine the thermodynamic overpotential and be the PDS, the OOH * formation would still be the ratedetermining step that controls the overall activity. Taking this into account and using the free energy relations between reaction thermodynamics and kinetics, we are led to the conclusion that facilitating OOH * formation would also result in the largest enhancement in the reaction kinetics and thereby OER efficiency. This in turn indicates that the introduction of MoS 2 QDs onto LDH structures would lead to the most pronounced enhancements in OER efficiency because MoS 2 QDs most significantly facilitate OOH * formation thermodynamics. Hence, if we account for the observation that OOH * formation determines the OER kinetics and that facilitating the thermodynamics of this step leads to the largest enhancements in OER efficiency, our computational results are in line with our experiments showing that the incorporation of MoS 2 QDs leads to very efficient OER.