<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.以氢气、氨气为代表的‘绿色’能源分子的可持续电化学合成技术，因有望替代传统化石燃料基能源利用循环，已受到学界广泛关注。本项目聚焦于用于氢气与氨气绿色制备的金属氧化物/氢氧化物电催化剂的理论与实验一体化设计。本研究旨在通过合理设计特定实验策略，优化活性位点周边的电子结构状态。此外，本研究尝试通过策略性设计与合成方法，突破中间体标度限制下的理论活性上限。本数据集涵盖材料表征与电子结构分析所需的实验数据与计算数据。

搜集汇总

背景与挑战

背景概述

该数据集为金属氧化物/氢氧化物电催化剂设计提供支持数据，专注于绿色能源分子（如氢和氨）的可持续电化学合成。它包括实验和计算数据，用于材料表征和电子结构分析，以优化活性位点的电子结构，突破理论活性限制。数据集涵盖催化、电化学和反应动力学领域，适用于电催化特性研究。