Boosting the efficiency of urea synthesis via cooperative electroreduction of N2 and CO2 on MoP,Journal of Materials Chemistry A

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Boosting the efficiency of urea synthesis via cooperative electroreduction of N2 and CO2 on MoP
Journal of Materials Chemistry A ( IF 10.7 ) Pub Date : 2022-11-17 , DOI: 10.1039/d2ta07531h
Dongxu Jiao _{1,

2} , Yilong Dong ₂ , Xiaoqiang Cui ₂ , Qinghai Cai _{1,

3} , Carlos R. Cabrera ₄ , Jingxiang Zhao ₁ , Zhongfang Chen ₅

Affiliation

By combining theoretical and experimental efforts, we designed the MoP-(101) surface and explored its potential as catalyst for urea production. Our computations revealed that N₂ and CO₂ reactants can be effectively reduced to urea on the MoP-(101) surface with a low limiting potential (−0.27 V); the competitive side reactions are well suppressed, and the *NHCONH species is a key reaction intermediate for the C–N coupling during urea synthesis. Our experimental measurements confirmed the above theoretical predictions: urea synthesis was achieved with the urea formation rate of 12.4 μg h⁻¹ mg⁻¹ and the faradaic efficiency of 36.5%. This work not only highlights the critical role of the abundant Mo active sites for urea electrosynthesis but also provides a new mechanism for C–N coupling, which may be used to further develop other efficient electrocatalysts.

中文翻译：

通过在 MoP 上协同电还原 N2 和 CO2 提高尿素合成效率

通过结合理论和实验工作，我们设计了 MoP-(101) 表面并探索了其作为尿素生产催化剂的潜力。我们的计算表明，N ₂和 CO ₂反应物可以在 MoP-(101) 表面以低极限电位 (-0.27 V) 有效还原为尿素；竞争性副反应得到很好的抑制，*NHCONH 物种是尿素合成过程中 C-N 偶联的关键反应中间体。^{我们的实验测量证实了上述理论预测：尿素合成以 12.4 μg h −1} mg ⁻¹的尿素形成率实现法拉第效率为 36.5%。这项工作不仅突出了丰富的 Mo 活性位点对尿素电合成的关键作用，而且还提供了一种新的 C-N 偶联机制，可用于进一步开发其他高效电催化剂。

更新日期：2022-11-17

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