Water splitting is considered as a pollution‐free and efficient solution to produce hydrogen energy. Low‐cost and efficient electrocatalysts for the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) are needed. Recently, chemical vapor deposition is used as an effective approach to gain high‐quality MoS₂ nanosheets (NSs), which possess excellent performance for water splitting comparable to platinum. Herein, MoS₂ NSs grown vertically on FeNi substrates are obtained with in situ growth of Fe₅Ni₄S₈ (FNS) at the interface during the synthesis of MoS₂. The synthesized MoS₂/FNS/FeNi foam exhibits only 120 mV at 10 mA cm⁻² for HER and exceptionally low overpotential of 204 mV to attain the same current density for OER. Density functional theory calculations further reveal that the constructed coupling interface between MoS₂ and FNS facilitates the absorption of H atoms and OH groups, consequently enhancing the performances of HER and OER. Such impressive performances herald that the unique structure provides an approach for designing advanced electrocatalysts.

中文翻译：

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MoS2 / Fe5Ni4S8异质结构的耦合界面结构，用于高效电化学水分解

分解水被认为是产生氢能的无污染且有效的解决方案。需要用于氢气释放反应（HER）和氧气释放反应（OER）的低成本高效催化剂。最近，化学气相沉积被用作获得高质量MoS ₂纳米片（NSs）的有效方法，该纳米片具有与铂相当的出色的水分解性能。在此，通过在合成MoS _2的过程中在界面处原位生长Fe ₅ Ni ₄ S ₈（FNS）获得了在FeNi基底上垂直生长的MoS ₂ NS 。合成的MoS ₂ / FNS / FeNi泡沫在10 mA cm ^-2时仅显示120 mV对于HER，它具有204 mV的极低过电位，以达到与OER相同的电流密度。密度泛函理论计算进一步表明，在MoS ₂和FNS之间构建的偶联界面促进了H原子和OH基团的吸收，从而增强了HER和OER的性能。如此出色的性能预示着独特的结构为设计高级电催化剂提供了一种方法。