Hetero-interface regulation for space charge transfer is an effective strategy to achieve high-performance hydrogen evolution reaction (HER) electrocatalysis. We have constructed heterostructured Co3Mo3N/Co particles confined in porous N-doped carbon (Co3Mo3N/Co@PNC) to decrease alkaline HER energy barrier, and the synergistic mechanisms of Co3Mo3N and metal Co were identified by experiments and theoretical calculations. The heterostructure induces charge transfer from Co to Co3Mo3N at the interface, which results in increased electron density on the Co3Mo3N part, enriched and enhanced active sites, and balanced adsorption-free energy of H2O dissociation and *H intermediates. As expected, Co3Mo3N/Co@PNC showed remarkable HER activity with a low HER overpotential of only 67 mV and the extremely lower Tafel slope of 43.1 mV dec−1, which can compete with the most of recently reported catalysts. What is more, the excellent stability of Co3Mo3N/Co@PNC over 20 h was superior to Pt/C, verifying great industrial prospects to replace nobel-metal-based catalysts for efficient energy conversion.

中文翻译：

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介孔碳中金属 Co3Mo3N/Co 异质界面的调控电子结构，用于降低碱性 HER 能垒


用于空间电荷转移的异质界面调节是实现高性能析氢反应 （HER） 电催化的有效策略。我们构建了限制在多孔 N 掺杂碳 （Co3Mo3N/Co@PNC） 中的异质结构 Co3Mo3N/Co 颗粒，以降低碱性 HER 能垒，并通过实验和理论计算确定了 Co3Mo3N 和金属 Co 的协同机制。异质结构在界面处诱导电荷从 Co 转移到 Co3Mo3N，这导致 Co3Mo3N 部分的电子密度增加，活性位点富集和增强，并平衡了 H2O 解离和 *H 中间体的无吸附能。正如预期的那样，Co3Mo3N/Co@PNC 显示出显着的 HER 活性，HER 过电位较低，仅为 67 mV，塔菲尔斜率极低，为 43.1 mV dec-1，可以与最近报道的催化剂竞争。更重要的是，Co3Mo3N/Co@PNC 在 20 h 内的优异稳定性优于 Pt/C，验证了替代诺贝尔金属基催化剂实现高效能量转换的巨大工业前景。