<i>Supporting data for "Design of metal oxide/hydroxide electrocatalysts for energy conversion"</i>

Sustainable electrochemical synthesis of “green” energy molecules such as hydrogen and ammonium has received considerable interest, due to their potential to replace traditional fossil-fuel based energy utilization cycles. The project focuses on the integrated theoretical and experimental design of metal oxide/hydroxide electrocatalysts for the green production of hydrogen and ammonia.The efforts aim to rationalize the specific experimental strategy towards optimized electronic structural states around the active site. Moreover, strategic design and synthesis approaches are attempted to bypass the theoretical activity ceiling under the intermediates scaling limitation. The dataset includes experimental and calculation data for materials characterization and electronic structure analysis.