Promoting the formation of high-oxidation-state transition metal species in a hydroxide catalyst may improve its catalytic activity in the oxygen evolution reaction, which remains difficult to achieve with current synthetic strategies. Herein, we present a synthesis of single-layer NiFeB hydroxide nanosheets and demonstrate the efficacy of electron-deficient boron in promoting the formation of high-oxidation-state Ni for improved oxygen evolution activity. Raman spectroscopy, X-ray absorption spectroscopy, and electrochemical analyses show that incorporation of B into a NiFe hydroxide causes a cathodic shift of the Ni²⁺(OH)₂ → Ni^3+δOOH transition potential. Density functional theory calculations suggest an elevated oxidation state for Ni and decreased energy barriers for the reaction with the NiFeB hydroxide catalyst. Consequently, a current density of 100 mA cm^–2 was achieved in 1 M KOH at an overpotential of 252 mV, placing it among the best Ni-based catalysts for this reaction. This work opens new opportunities in electronic engineering of metal hydroxides (or oxides) for efficient oxygen evolution in water-splitting applications.

促进氢氧化物催化剂中高氧化态过渡金属物种的形成可以提高其在析氧反应中的催化活性，这仍然难以用目前的合成策略实现。在此，我们提出了单层 NiFeB 氢氧化物纳米片的合成方法，并展示了缺电子硼在促进高氧化态 Ni 形成以提高析氧活性方面的功效。拉曼光谱、X 射线吸收光谱和电化学分析表明，将 B 掺入 NiFe 氢氧化物会导致 Ni ²⁺ (OH) ₂  → Ni ^{3+δ的阴极位移}OOH 转换潜力。密度泛函理论计算表明，Ni 的氧化态升高，与 NiFeB 氢氧化物催化剂反应的能垒降低。^{因此，在 252 mV 的过电位下，在 1 M KOH 中实现了 100 mA cm –2}的电流密度，使其成为该反应的最佳镍基催化剂之一。这项工作为金属氢氧化物（或氧化物）的电子工程开辟了新的机会，以在水分解应用中有效地析出氧气。