Double–single-atom MoCu-embedded porous carbons boost the electrocatalytic N2 reduction reaction

Abstract

NH₃ is an essential ingredient of chemical, fertilizer, and energy storage products. Industrial nitrogen fixation consumes an enormous amount of energy, which is counter to the concept of carbon neutrality, hence eNRR ought to be implemented as a clean alternative. Herein, we propose a double–single-atom MoCu-embedded porous carbon material derived from uio-66 (MoCu@C) by plasma-enhanced chemical vapor deposition (PECVD) to boost eNRR capabilities, with an NH₃ yield rate of 52.4 μg h⁻¹ g_cat.⁻¹ and a faradaic efficiency (FE) of 27.4%. Advanced XANES shows that the Mo active site receives electrons from Cu, modifies the electronic structure of the Mo active site and enhances N₂ adsorption activation. The invention of rational MoCu double–single-atom materials and the utilization of effective eNRR approaches furnish the necessary building blocks for the fundamental study and practical application of Mo-based materials.