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Electroreduction of N2 to NH3 Catalyzed by Mn/Re(111) Single-Atom Alloy Catalyst with High Activity and Selectivity: A New Insight from the First-Principal Study
Catal. Sci. Technol., 2022, Accepted ManuscriptDOI: 10.1039/D2CY00435F, PaperNing Cao, Nan Zhang, Yongqing Qiu, Chun-Guang LiuThe first-principal calculations were employed to evaluate the doping effects on the activity and selectivity of various singl…