Insights into the Role of Cation Vacancy for Significantly Enhanced Electrochemical Nitrogen Reduction

Applied Catalysis B: Environmental(2020)

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Abstract
The introduction of Mo vacancies in MoN can regulate its electronic properties, shift the potential-determining step (PDS) of NRR and induce the reduction of PDS barrier height from 1.40 to 0.61 eV, significantly enhancing NRR performance.
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Key words
Mo vacancies MoN nanocrystal,Electrocatalysis,Artificial N2 fixation,Mars-van krevelen mechanism,NH3
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