Obtaining of non-noble metal catalyst with bifunctional effect for both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) in water splitting is highly desired to get high purity hydrogen. Here in, we design and fabricate Cu/Ni bimetallic phosphides with Graphdiyne (GDY) to form hybrid nanomaterial CuNiPx-GDY on Ni foam for the first time. The synergistical effect between GDY and transition metal phosphides, and the atomic scale heterojunctions between Cu₃P and Ni₂P, effectively accelerate the catalytical process both in HER and OER, resulting in extraordinarily small overpotentials of 178 mV and 110 mV at 10 mA cm⁻² for OER and HER in CuNiPx-GDY(1:1) in 1 M KOH, respectively. Density functional theory results show that, compared with pure CuNiPx, the introduced GDY can considerably improve the activity of OER and generate different active sites for OER and HER in CuNiPx-GDY(1:1). Thus CuNiPx-GDY(1:1) exhibits good catalytical performance and stability as catalyst for overall water splitting. This study provides a new sight into the structure and catalytic properties of GDY and transition metal phosphides hybrid nanomaterial, and also offers a new way to obtain advanced materials with remarkable catalytic properties.

获得对水分解中的析氢反应（HER）和析氧反应（OER）具有双功能效应的非贵金属催化剂是获得高纯度氢气的迫切需要。在这里，我们设计并使用石墨二炔 (GDY) 制造 Cu/Ni 双金属磷化物，首次在泡沫镍上形成混合纳米材料 CuNiPx-GDY。GDY和过渡金属磷化物之间的协同效应，以及Cu ₃ P和Ni ₂ P之间的原子级异质结，有效地加速了HER和OER中的催化过程，在10 mA cm时产生了178 mV和110 mV的极小过电位^-2分别用于 1 M KOH 中 CuNiPx-GDY(1:1) 中的 OER 和 HER。密度泛函理论结果表明，与纯CuNiPx相比，引入的GDY可以显着提高OER的活性，并在CuNiPx-GDY(1:1)中产生不同的OER和HER活性位点。因此，CuNiPx-GDY(1:1) 作为整体水分解催化剂表现出良好的催化性能和稳定性。该研究为研究GDY和过渡金属磷化物杂化纳米材料的结构和催化性能提供了新的视角，也为获得具有显着催化性能的先进材料提供了新途径。