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Updated: Sep 26, 2025

Simple Methods for the Preparation of Non-noble Metal Bulk-electrodes for Electrocatalytic Applications
Published on: June 21, 2017
Manipulating the Water Dissociation Electrocatalytic Sites of Bimetallic Nickel-Based Alloys for Highly Efficient
Jinsong Wang1, Sisi Xin1, Yao Xiao2
1Faculty of Materials Science and Engineering, Kunming University of Science and Technology, 650093, Kunming, P. R. China.
Abstract:
Transition-metal alloys are currently drawing increasing attention as promising electrocatalysts for the alkaline hydrogen evolution reaction (HER). However, traditional density-functional-theory-derived d-band theory fails to describe the hydrogen adsorption energy (ΔGH ) on hollow sites. Herein, by studying the ΔGH for a series of Ni-M (M=Ti, V, Cr, Mn, Fe, Co, Cu, Zn, Mo, W) bimetallic alloys, an improved d-band center was provided and a potential NiCu electrocatalyst with a near-optimal ΔGH was discovered. Moreover, oxygen atoms were introduced into Ni-M (O-NiM) to balance the adsorption/desorption of hydroxyl species. The tailored electrocatalytic sites for water dissociation can synergistically accelerate the multi-step alkaline HER. The prepared O-NiCu shows the optimum HER activity with a low overpotential of 23 mV at 10 mA cm-2 . This work not only broadens the applicability of d-band theory, but also provides crucial understanding for designing efficient HER electrocatalysts.
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