Molybdenum Based 2D Conductive Metal–Organic Frameworks as Efficient Single-atom Electrocatalysts for N2 Reduction: A Density Functional Theory Study

Yongxiu Sun, Wenwu Shi, Mengxuan Sun, Qisheng Fang, Xiaohe Ren, Yijun Yan, Ziwei Gan, Yongqing Fu, Ahmed Elmarakbi, Zhijie Li*, Zhiguo Wang*

*Corresponding author for this work

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