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

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.

可持续的电化学合成“绿色”能源分子，如氢和铵，因其能够替代传统的以化石燃料为基础的能量利用循环而备受关注。本项目致力于金属氧化物/氢氧化物电催化剂的集成理论与实验设计，以实现氢和氨的绿色生产。研究努力旨在合理化具体的实验策略，以优化活性位点周围的电子结构状态。此外，通过战略性的设计和合成方法，尝试突破中间体规模化限制下的理论活性上限。数据集包括用于材料表征和电子结构分析的实验和计算数据。