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Updated: Aug 23, 2025

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production
Published on: December 6, 2021
In situ modification of the d-band in the core-shell structure for efficient hydrogen storage via electrocatalytic N2
Xiaohui Yang1,2, Jin Wan1, Huijuan Zhang1
1School of Chemistry and Chemical Engineering, State Key Laboratory of Power Transmission Equipment & System Security and New Technology, Chongqing University 174 Shazheng Street, Shapingba District Chongqing City 400044 P. R. China wangy@cqu.edu.cn.
Abstract:
The electrochemical N2 reduction reaction (NRR) into NH3, especially powered by clean and renewable electricity, is a promising alternative to the capital- and energy-intensive Haber-Bosch process. However, the inert N[triple bond, length as m-dash]N bond and the frantic competition of the hydrogen evolution reaction lead to a poor NH3 yield rate and faradaic efficiency (FE). Here, we in situ construct a series of two-dimension core/shell V2O3/VN nanomeshes with a gradient nitride-layer thickness. Among them, V2O3/VN-2 exhibits the highest FE of 34.9%, an excellent NH3 yield rate of 59.7 μg h-1 mgcat. -1, and outstanding cycle stability, exceeding those of most of the NRR electrocatalysts reported to date. First-principles calculations reveal that the d-band center of VN shifts up in a nearly linear manner with the decrease of nitride-layer thickness, and V2O3/VN-2 with a d-band center closer to the Fermi level can strengthen the d-2π* coupling between the catalyst and N2 molecule, notably facilitating the N2-into-NH3 conversion.
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