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Nitrogen Reduction Reaction
In article number 2306840, Jun Fan and co‐workers showed that tensile strain tuning the oxidation states of Ti and favoring O‐vacancy formation in Ti2CO2 enhances electrochemical dinitrogen reduction. The downshift of d‐band center leads to unique adsorption behaviors of N‐containing intermediates, which is elucidated by a spin‐polarized d‐band center model.
Electrocatalytic reduction of dinitrogen to ammonia has attracted significant research interest. Herein, it reports the boosting performance of electrocatalytic nitrogen reduction on Ti2CO2 MXene with an oxygen vacancy through biaxial tensile strain engineering. Specifically, tensile strain modified electronic structures and formation energy of oxygen vacancy are evaluated. The exposed Ti atoms with...
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