Efficient urea electrosynthesis from nitrite and CO2 reduction on single W atom catalyst

Abstract

Electroreduction of CO₂ and NO₂⁻ to urea (ECNU) provides a fascinating method for concurrently migrating polluted NO₂⁻ and producing value-added urea. In this study, atomically dispersed W on MoS₂ (W₁/MoS₂) is designed as an efficient ECNU catalyst, which exhibits the highest Faraday efficiency of 60.11 % and urea yield rate of 35.80 mmol h⁻¹ g⁻¹ in flow cell. Atomic characterizations reveal that W single atoms exist as isolated W₁-S₃ moieties on MoS₂. Combined theoretical calculations and operando spectroscopic measurements demonstrate that the enhanced ECNU performance of W₁/MoS₂ arises from the construction of W₁-S₃ moieties that can promote CN coupling and hydrogenation energetics, whilst suppressing the competing side reactions.