Remarkable Synergy Effect of Cu–Nb Oxide Nanorods toward Electrocatalytic Nitrogen Reduction: The Enhanced Mass and Electron Transfer

The modification of Nb2O5 materials toward an enhanced nitrogen reduction process is reported. The Lewis acidic Nb–O site is identified as the most promising electrocatalytic activity of all Nb–X structures considered. To facilitate both mass and electron transfer, thus further enhancing the electrocatalytic hydrogenation of dinitrogen on the Nb2O5 surface, selective doping and the morphology optimization were employed to regulate the electronic structure. Experiments point out the appropriate size and shape of Nb2O5 materials in nitrogen hydrogenation, while theoretical screening reveals the doping effect of Cu on promoting electron transfer by eliminating the bandgap. The high-performance Cu-doped Nb2O5 species is thus afforded.