Three-Site Catalysis of In<sub>1</sub>-MoB<sub>2</sub> to Boost Urea Electrosynthesis.

Wang, Fuzhou; Li, Jiahang; Xing, Xuezi; Yin, Chenguang; Wang, Xin; Chu, Ke; Ma, Dongwei · Nano Lett · 2025

basic_science · Level V

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Abstract

We develop single-atom In on MoB<sub>2</sub> (In<sub>1</sub>-MoB<sub>2</sub>) as an efficient catalyst for urea synthesis from coelectrolysis of NO<sub>3</sub><sup>-</sup> and CO<sub>2</sub>. Mechanistic studies reveal a three-site synergistic catalysis mechanism of In<sub>1</sub>-MoB<sub>2</sub>, where In<sub>1</sub>/B sites enable the formation of *CO/*NH<sub>2</sub> intermediates and their C-N coupling, while the Mo site facilitates H<sub>2</sub>O dissociation to provide the ample protons required for the protonation of C/N intermediates toward urea generation. Moreover, by employing a plasma-electrocatalytic route with integrating plasma-driven air oxidation and electrocatalysis, In<sub>1</sub>-MoB<sub>2</sub> exhibits the exceptional Faradaic efficiency of 80.4% and urea yield rate of 116.5 mmol h<sup>-1</sup> g<sup>-1</sup>, ranking in the top performance level.