Vanadium‐Doped Heterointerfaced Ni3N‐MoOx Nanosheets with Optimized H and H2O Adsorption for Effective Alkaline Hydrogen Electrocatalysis

• Published in: Small (Weinheim an der Bergstrasse, Germany) Vol. 20; no. 52; pp. e2406335 - n/a
• Main Authors: Ren, Jin‐Tao, Yang, Dandan, Chen, Lei, Yuan, Zhong‐Yong
• Format: Journal Article
• Language: English
• Published: Weinheim Wiley Subscription Services, Inc 01.12.2024
• Subjects: Adsorption; Effectiveness; Electrocatalysis; electronic interaction; Electronic structure; Energy of dissociation; Hydrogen; Hydrogen evolution; hydrogen oxidation; interface engineering; Nanosheets; Nickel; nickel nitrides; Oxidation; Synergistic effect; Vanadium
• ISSN: 1613-6810; 1613-6829; 1613-6829
• DOI: 10.1002/smll.202406335

Nickel (Ni)‐based materials represent a compelling avenue as platinum alternatives in the realm of alkaline hydrogen electrocatalysis. However, conventional nickel nitrides (Ni3N) have long been hindered by sluggish hydrogen evolution kinetics in alkaline environments, owing to inadequate adsorption strengths of both hydrogen and water molecules. Herein, a novel approach is presented involving the design of vanadium (V)‐doped Ni3N/MoOx heterogeneous nanosheets (V‐Ni3N@MoOx), engineered to achieve optimized adsorption strengths for hydrogen evolution and oxidation reactions (HER/HOR). Theoretical insights underscore the superior catalytic performance of this composite, attributed to a synergistic interplay between unique V doping and the heterointerfaced structure. This synergistic effect not only fine‐tunes the electronic structure, establishing an optimal d band center to mitigate proton over‐bonding, but also ameliorates the energy barrier through enhanced H2O dissociation capability. Consequently, V‐Ni3N@MoOx manifests remarkable catalytic activities, evincing an overpotential of 56 mV at 10 mA cm−2 for HER and an exchange current density of 1.91 mA cm−2 for HOR in alkaline media. Notably, the stability assessment reveals the enduring performance of V‐Ni3N@MoOx for HER/HOR, exhibiting no activity decay over extended operational durations. This study underscores the efficacy of heterogeneous interface modulation as a transformative strategy in designing Ni‐based materials for alkaline hydrogen electrocatalysis. The study delves into the hybrid nanosheet configuration of V‐doped Ni3N combined with MoOx layer, aiming to bolster electrocatalytic efficacy and resilience in alkaline environments for both hydrogen evolution and oxidation reactions. This heightened bifunctionality is ascribed to structural advantages from interconnected nanosheets and strong electronic interactions at interfaces.