In this work, we performed AIMD simulations on several transition metal-water interfaces to understand the correlation between the potential of zero change (U PZC ) and work function reduction (∆φ) with the aim to identify simple descriptors to predict these quantities. We surfaces and find the correlations between the water coverage and work function reduction to be universal. Finally, we perform a decomposition analysis of the computed reduction in work function into an electronic and orientational components and find that latter is significantly higher for the fcc(211) surfaces compared to the flat (111, 100, 0001) surfaces.