Exploring low-cost, high-efficient and durable electrocatalysts to substitute for Ru, Ir-based noble metal catalysts is of great significance for oxygen evolution reaction (OER), which is in particular a sluggish anodic process in water oxidation and remains to be a major challenge that we are confronted with. Herein, we report nickel-iron diselenide hollow nanochains (denoted as NFSHNCs) synthesized via a two-step hydrothermal method working as the high performance OER catalyst. The formation of well-shaped NFSHNCs is due to the Kirkendall effect, in which NiFe alloy solid nanochains were employed as the precursors. The as-prepared NFSHNCs not only exhibit outstanding OER performance with low overpotential of 267 mV (at a current density of 10 mA cm⁻²) and small Tafel slope of 67 mV dec⁻¹, superior to the state-of-the-art commercial RuO₂, but also deliver high durability with a dinky degradation of 5.3% after 12 h fierce test. To identify the electrocatalytic active sites, the Gibbs free energy differences (ΔG) related to the O* and OH* adsorption on NiFe selenides were calculated with density functional theory. The theoretical results corroborate the fact that the O* and OH* adsorption prefers to occur on both iron sites and the nickel sites (the one that in the vicinity of iron sites) because of the synergistic effects of electron configuration.

探索低成本，高效且耐用的电催化剂来替代Ru，Ir基贵金属催化剂对氧气析出反应（OER）具有重要意义，尤其是在水氧化过程中阳极反应缓慢，并且仍将是一个长期的过程。我们面临的重大挑战。在本文中，我们报道了通过两步水热法合成的镍-铁二硒化物空心纳米链（称为NFSHNCs），作为高性能OER催化剂。形状良好的NFSHNCs的形成是由于柯肯德尔效应，其中NiFe合金固体纳米链被用作前体。所制备的NFSHNC不仅具有出色的OER性能，而且具有267 mV的低过电势（在10 mA cm ^-2的电流密度下））和67 mV dec ^-1的小Tafel斜率，优于最先进的商用RuO ₂，但在经过12 h的剧烈测试后，仍具有高耐用性和5.3％的丁基降解率。为了确定电催化活性位，使用密度泛函理论计算了与NiFe硒化物上O *和OH *吸附有关的吉布斯自由能差（ΔG）。理论结果证实了以下事实：由于电子构型的协同作用，O *和OH *吸附更倾向于同时发生在铁位点和镍位点（在铁位点附近）。