articleJournal of the American Chemical SocietyJun 12, 2025Closed access

Directing the C–N Coupling Pathway Enables Efficient Urea Electrosynthesis

BHBihao HuRLRuihu LuWWWenlong WangYZYi-Fan ZhouDKDhayananthan Kalpana Devi Jaswanthi

National University of Singapore · Université Bourgogne Franche-Comté · +1 more institution

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Abstract

Electrocatalytic synthesis of urea presents a promising approach to closing the artificial nitrogen cycle. However, a major challenge arises from the sluggish C–N coupling step in urea formation compared to other competing electrochemical steps involving nitrate and CO2 reduction, ultimately limiting the urea selectivity and energy efficiency during the coelectroreduction of nitrate and CO2. In this study, we identify *NO2 as a key intermediate that governs urea activity and selectivity as it can either undergo hydrogenation or couple with CO2 to form the desired C–N bond. Our theoretical investigations reveal that a decrease in the adsorption energy of *NO2 on Cu can suppress *NO2 hydrogenation while…

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63
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8

Topics & keywords

Topics
Keywords
  • Chemistry
  • Electrosynthesis
  • Urea
  • Coupling (piping)
  • Combinatorial chemistry
  • Electrochemistry
  • Organic chemistry
  • Physical chemistry
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