Curvature-programmed nitrate electroreduction via single-atom protrusions on quantum dots.

Chen, Dong; Zhang, Shaoce; He, Dongchang; Li, Haifan; Yang, Xinru; Yin, Di; Chen, Mengxue; Quan, Quan et al. · Sci Adv · 2026

basic_science · Level V

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Abstract

Local geometric constraints have a substantial influence on electronic structure renormalization, offering a promising approach to enhance single-atom catalysts (SACs) beyond traditional limits. Conventional SACs typically feature planar-confined sites, but three-dimensional configurations remain underexplored. This study introduces a "curvature-programming" strategy to drive electrochemical nitrate reduction by assembling FeCu dual single-atom protrusions on molybdenum carbide quantum dots (FeCu/MoC<sub>x</sub>-5 QDs). The high-curvature QDs and protruding geometries mimic active vertex sites, enhancing electric fields to polarize N─O bonds. This delivers nearly 100% NH<sub>3</sub> Faradaic efficiency over a wide potential window (-0.1 to -0.4 V versus reversible hydrogen electrode), with an ultralow overpotential (300 mV) and energy consumption (7.52 Wh g<sub>NH3</sub><sup>-1</sup> mg<sub>cat</sub><sup>-1</sup>). FeCu/MoC<sub>x</sub>-5 effectively reduces nitrate levels in wastewater, producing scalable (NH<sub>4</sub>)<sub>2</sub>SO<sub>4</sub>, thus integrating environmental remediation with renewable energy storage. This work provides a promising strategy for developing SACs for broader energy applications.