articleJournal of the American Chemical SocietyJun 7, 2025Closed access

Elevating Nitrate Reduction through the Mastery of Hierarchical Hydrogen-Bond Networks

Xiamen University · Collaborative Innovation Center of Chemistry for Energy Materials · +4 more institutions

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Abstract

To effectively resolve environmental and industrial dilemmas, electrochemical reduction of nitrate (NO3–) to ammonia (NH3) offers a brilliant strategy for tackling pollution and creating economic value, but the scarcity and reduced reactivity of available interfacial water and reactive adsorbates represent ongoing obstacles. Here, we reform the water–ion networks via electrolyte concentration manipulation and electrode construction on atomically flat Au single-crystal surfaces. With the combination of in situ Raman spectroscopy and multifidelity theoretical simulations, we pinpoint H2O with dual hydrogen-bond donors as an observable indicator for nitrate electroreduction (NO3RR). A hierarchical configuration…

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