The design of reasonable and efficient electrocatalysts is imperative in large scale water splitting applications. In this paper, NiMoO₄ nanospheres doped with Cr and P were constructed by hydrothermal method and phosphating process as electrocatalysts for water splitting, and the doping of Cr and P effectively modulated the electronic structure, which led to an increase in the active sites and an increase in the intrinsic activity of each site. Notably, Cr/P–NiMoO₄@NF presented excellent urea oxidation reaction (UOR) performance (1.312V @ 10 mA cm⁻²) and oxygen evolution reaction (OER) performance (overpotential 309 mV @ 10 mA cm⁻²) in electrolytes of 1 M KOH and 1 M KOH with 0.5 M urea because of the doping effect of Cr and P. The experimental analysis showed that the improvement of electrochemical performance was mainly reflected in the accelerated electron transfer rate, increased exposure of reaction sites and improved metal properties and so on. For Cr/P–NiMoO₄@NF, after a long time UOR and OER stability test, some changes have taken place in the appearance of the sample, which increases the contact area and provides more active sites, making the catalytic performance of the sample have no too obvious attenuation. Density functional theory calculation shows that the Cr/P–NiMoO₄ material exhibits higher urea adsorption energy, indicating that urea is preferentially adsorbed on its surface. The Cr/P–NiMoO₄ material shows more state density near the Fermi level, indicating that the introduction of Cr and P enhances the conductivity of the Cr/P–NiMoO₄ material. This work provides a novel idea for the research and exploitation of low cost and robust UOR and OER electrocatalysts.

在大规模水分解应用中，合理高效的电催化剂的设计势在必行。本文采用水热法和磷化工艺构建了掺杂Cr和P的_{NiMoO 4}纳米球作为水分解电催化剂，Cr和P的掺杂有效地调节了电子结构，导致活性位点增加，催化性能提高。每个位点的内在活性增加。值得注意的是，Cr/P–NiMoO ₄ @NF表现出优异的尿素氧化反应（UOR）性能（1.312V @ 10 mA cm ^-2 ）和析氧反应（OER）性能（过电位309 mV @ 10 mA cm ^{-2 ）}）在1 M KOH和1 M KOH加0.5 M尿素电解液中，由于Cr和P的掺杂作用，电化学性能的改善主要体现在电子转移速率加快、反应位点暴露增加以及改善金属性能等。对于Cr/P–NiMoO ₄ @NF，经过长时间的UOR和OER稳定性测试，样品的外观发生了一些变化，增加了接触面积并提供了更多的活性位点，使得样品的催化性能没有太明显的衰减。密度泛函理论计算表明Cr/P-NiMoO ₄材料表现出较高的尿素吸附能，表明尿素优先吸附在其表面。Cr/P-NiMoO_图4材料在费米能级附近表现出更高的态密度，表明Cr和P的引入增强了Cr/P-NiMoO _4材料的电导率。这项工作为低成本、鲁棒的UOR和OER电催化剂的研究和开发提供了新的思路。