Non‐metal‐based single‐atom catalysts (SACs) offer low cost, simple synthesis methods, and effective regulation for substrates. Herein, we developed a simplified pressurized gas‐assisted process, and report the first non‐metal single‐atom phosphorus with atomic‐level dispersion on unique single‐crystal Mo₂C hexagonal nanosheet arrays with a (001) plane supported by carbon sheet (SAP‐Mo₂C‐CS). The SAP‐Mo₂C‐CS is structurally stable and shows exceptional electrocatalytic activity for the hydrogen evolution reaction (HER). A so‐called high‐active “window” based on the active sites of P atoms and their adjacent Mo atoms gives a ΔG_H* close to zero for hydrogen evolution, which is the most ideal ΔG_H* reported so far. Meanwhile, the moderate d‐band center value of SAP‐Mo₂C‐CS can be also used as an ideal standard value to evaluate the HER performance in non‐metal‐based SACs.

中文翻译：

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非金属单磷原子催化氢的释放。

非金属基单原子催化剂（SAC）提供低成本，简单的合成方法以及对底物的有效调节。本文中，我们开发了一种简化的加压气体辅助工艺，并报告了在（001）平面由碳片支撑的独特单晶Mo ₂ C六角形纳米片阵列上的第一个原子级分散的非金属单原子磷（ SAP‐Mo ₂ C‐CS）。SAP-Mo ₂ C-CS在结构上很稳定，并且对析氢反应（HER）表现出出色的电催化活性。基于P原子及其相邻的Mo原子的活性位的所谓高活性“窗口”给出了氢释放的ΔG _{H *}接近于零，这是最理想的ΔG _{H *}到目前为止报道。同时，SAP-Mo ₂ C-CS的中等d波段中心值也可以用作评估非金属SAC中HER性能的理想标准值。