Abstract
Electrocatalytic nitrate-to-ammonia conversion (NO3RR) is a promising route to achieve both NH3 electrosynthesis and wastewater treatment. Herein, we report B-doped MoS2 nanosheet arrays as an efficient NO3RR catalyst, delivering an NH3-Faradaic efficiency of 92.3 % with the corresponding NH3 yield of 10.8 mg h−1 cm−2 at −0.7 V (RHE). Theoretical computations identify B-dopants as the pivotal active sites to enhance NO3– activation and optimize the free energies of reaction intermediates, leading to the expedited NO3RR activity. Meanwhile, the undesired hydrogen evolution can be well suppressed on B-MoS2 to render a high NO3RR selectivity.
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