The fundamental understanding of the transition from a homogeneous nanostructure to a heterogeneous one is essential for controllably exploiting the heterostructure catalysts, however, it still remains a challenge. Herein, through simply tailoring the selenization temperature, for the first time we achieve the controllable transition engineering from the homogeneous NiSe₂ nanowrinkles (NiSe₂ NWs) to heterogeneous Ni₃Se₄/NiSe₂ nanorods (Ni₃Se₄/NiSe₂ NRs) on Ni foam substrate. The unique rod-like nanoarray architecture with high surface roughness can greatly improve the mass transport efficiency. More importantly, the density function theory calculations decipher that the electron redistribution spontaneously takes place at the interfacial region between Ni₃Se₄ and NiSe₂, which could optimize the adsorption/desorption of reaction intermediates and decrease the Gibbs free energy of rate determining step for urea oxidation reaction (UOR). As a consequence, the heterogeneous Ni₃Se₄/NiSe₂ NRs manifests superior UOR performance than its counterpart of homogeneous NiSe₂ NWs, especially at large current densities.

对从均相纳米结构到异相纳米结构的转变的基本理解对于可控地利用异质结构催化剂至关重要，然而，它仍然是一个挑战。在此，通过简单地调整硒化温度，我们首次实现了从均质NiSe ₂纳米皱纹（NiSe ₂ NWs ）到异质Ni ₃ Se ₄ /NiSe ₂纳米棒（Ni ₃ Se ₄ /NiSe _{2 ）的可控转变工程。}NRs）在泡沫镍基材上。具有高表面粗糙度的独特棒状纳米阵列结构可以大大提高传质效率。更重要的是，密度函数理论计算揭示了电子重新分布自发发生在Ni ₃ Se ₄和NiSe ₂之间的界面区域，这可以优化反应中间体的吸附/解吸并降低速率确定步骤的吉布斯自由能尿素氧化反应（UOR）。因此，异质 Ni ₃ Se ₄ /NiSe ₂ NRs 表现出比均质 NiSe _{2的对应物更好的 UOR 性能}纳米线，特别是在大电流密度下。