Mo3(C6X6)2 (X = NH,S,O) monolayers: two-dimensional conductive metal–organic frameworks as effective electrocatalysts for the nitrogen reduction reaction

Juan Zhang,Xinyue Zhu,Weixiang Geng,Tianchun Li,Manman Li, Chubo Fang, Xiaocao Shan,Yafei Li,Yu Jing

Journal of Energy Chemistry（2021）

引用 15|浏览3

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摘要

Two-dimensional (2D) conductive metal–organic frameworks of Mo3(C6X6)2 (X = NH, S, O) are effective electrocatalysts for nitrogen reduction reaction (NRR), and their catalytic performance can be tuned by varying the organic ligands.

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关键词

Nitrogen reduction reaction,Electrocatalysis,Two-dimensional metal–organic frameworks,First principles calculations

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