Selenium-vacancy-rich WSe2 for nitrate electroreduction to ammonia
2023
Shen, Peng | Wang, Guohui | Chen, Kai | Kang, Jilong | Ma, Dongwei | Chu, Ke
Electrocatalytic nitrate reduction to ammonia (NO₃RR) is an attractive route for renewable NH₃ electrosynthesis. Herein, we demonstrated Se-vacancy-rich WSe₂ (WSe₂₋ₓ) nanoplatelets as a highly efficient NO₃RR catalyst, exhibiting a NH₃-Faradaic efficiency of 92.7 % with the corresponding NH₃ yield of 2.42 mg h⁻¹ cm⁻² at −0.8 V, substantially surpassing Se-vacancy-free WSe₂ nanoplatelets. Theoretical computations by density function theory calculations and molecular dynamics simulations revealed that the introduced Se-vacancy enabled the creation of unsaturated W sites as active centers to strongly activate the NO₃– and reduce the reaction barriers to boost the NO₃RR process.
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