As a carbon‐neutral alternative technology to the Haber−Bosch process, electrochemical N₂ reduction enables eco‐friendly NH₃ synthesis under ambient conditions but requires electrocatalysts to drive the N₂ reduction reaction (NRR). Here, P doping is proposed as a valid strategy to greatly increase the NRR activity of the V₂O₃/C shuttle‐like nanostructure. In 0.1 M Na₂SO₄, the NH₃ yield of original V₂O₃/C is 12.6 μg h⁻¹ mg⁻¹_cat. and a Faraday efficiency (FE) of 6.06% at −0.45 V and −0.25 V vs. reversible hydrogen electrode (RHE), respectively. P‐doped V₂O₃/C (P−V₂O₃/C), with a mass ratio of P of 6.05%, is capable of achieving a large NH₃ yield of 22.4 μg h⁻¹ mg⁻¹_cat. at −0.35 V vs. RHE, and a high FE of 13.78% at −0.25 V vs. RHE. It also shows high electrochemical durability and outstanding selectivity for NH₃ formation. Combined with density functional theory calculations, the catalytic mechanism was further explored.

中文翻译：

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通过P掺杂大大增强了V2O3 / C上的电催化N2还原

作为Haber-Bosch工艺的碳中和替代技术，电化学还原N ₂可以在环境条件下合成环保的NH _3，但需要电催化剂来驱动N ₂还原反应（NRR）。在这里，P掺杂被认为是有效增加V ₂ O ₃ / C穿梭状纳米结构的NRR活性的有效策略。在0.1 M Na ₂ SO _4中，原始V ₂ O ₃ / C的NH ₃产率为12.6μgh ^-1  mg ^-1 _cat。与可逆氢电极（RHE）相比，在-0.45 V和-0.25 V时法拉第效率（FE）分别为6.06％。P质量比为6.05％的P掺杂V ₂ O ₃ / C（P-V ₂ O ₃ / C）能够实现22.4μgh ^-1  mg ^-1 _cat的大NH ₃收率_。相对于RHE为-0.35 V时，以及-0.25 V对RHE时的高FE为13.78％。它还显示出高电化学耐久性和对NH ₃形成的出色选择性。结合密度泛函理论计算，进一步探讨了催化机理。