Boosting Alkaline Hydrogen Evolution on Stoichiometric Molybdenum Carbonitride via an Interstitial Vacancy‐Elimination Strategy
Liming Dai, Fanglei Yao, Yu Lei, Chenchen Fang, Jing Li, Liang Xue, Shengli Zhang, Pan Xiong, Yongsheng Fu, Jingwen Sun, Junwu Zhu
Abstract
Abstract An interstitial vacancy on molybdenum nitride has been determined as a negative factor towards the alkaline hydrogen evolution reaction (HER) by reason of upraising the d orbitals of Mo. Nevertheless, investigations aiming to eliminate the vacancies are rarely reported. Here, an interstitial reconfiguration method for the design of stoichiometric molybdenum carbonitride (Mo 2 CN) is proposed, in which the vacancies are fulfilled by lattice carbon. Multiple fine structural analyses alongside with the theoretical calculations indicate that beyond lower the d orbitals of Mo by the hybridization of additive p‐d orbitals, lattice carbon also behaves as the extra active center with exceptional H adsorption/desorption energy. Mo 2 CN reveals an adorable overpotential of − 84 mV at a current density of 10 mA cm −2 with a long‐term electrochemical stability by accompanying the nitrogen‐doped carbon substrate. It is anticipated that the vacancy‐eliminating concept will provide a constructive entry point for the rational design of electro‐catalysts and beyond.