水电解制氢效率受限于氧气析出反应的缓慢的动力学。项目采用第一过渡族金属为主要活性物质，使用具有三维多孔结构的高导电碳纤维纸和泡沫金属为基体材料，采用化学和电化学的方法构筑具有三维多孔结构的复合金属氧化物纳米阵列电极，通过调控纳米阵列成分、结构与表面特性等实现电极电催化活性与稳定性的优化。应用实验结合模拟的方法，探索复合金属氧化物纳米线/片的表面成分结构、氧空位、缺陷和表面特性等与氧气析出反应的过渡态吸/脱附能及动力学之间的关联，计算模拟析氧反应动力学，揭示纳米阵列电极的电催化机理。探究强析氧下复合金属氧化物纳米线/片的力学性能、断裂机制、表面氧特性突变机制等，阐明其失效机制。本项目的研究可为水电解析氧用高效复合金属氧化物纳米阵列电极的制备提供理论依据和实践方向。

The overall efficiency of electrochemical water splitting for the renewable production of hydrogen is limited by the sluggish kinetics of the oxygen evolution reaction (OER). In this project, nanowire arrays of compound metal oxides grown on the highly conductive substrates of carbon fiber paper and metal foams with a 3D porous structure are fabricated by using the chemical and electrochemical methods. The electrocatalytic activity and stability of these electrodes for the OER can be optimized by controlling the composition, structure and surface characteristics of nano array electrodes. The combined methods of simulation and experimentation are used to explore the relationship between composition, structure, oxygen vacancy, defect and surface characteristics of nano arrays, the adsorption/desorption energy of transition states and kinetics of the OER, revealing the electrocatalytic mechanism of nano array electrodes. The inactivation mechanism for nanowire array electrodes can be illuminated by exploring mechanical property, fracture mechanism and mutation mechanism of surface oxygen characteristics of nanowire/nanosheet of compound metal oxides. In summary, this study can provides theory evidence and practice direction for the design and fabrication of high-performance nano array electrodes of compound metal oxides.