While the current results are specific to NRR on metals, these findings may have broader implications for studying other electrochemical reactions that include both chemical and electrochemical steps, such as CO2 reduction. The methodology applied in this work is broadly transferable and thus enables potential-dependent modeling of other electrochemical reactions and surfaces of more complex classes of materials (e.g., oxides, pnictides, chalcogenides, etc.). Thus, this approach is suitable for a highthroughput investigation to identify superior electrocatalysts for NRR that break the identified scaling relations. We are currently using this approach to conduct a broader high-throughput investigation to study electrocatalysts for NRR and other key electrochemical reactions. The results from this subsequent effort, including energetics, structures, and calculated properties, will be published online in a planned database, which will provide a standardized platform to easily and efficiently analyze and compare electrocatalyst materials.