Dual-Confinement Strategy Improves the Stability of High-Entropy Alloys in Ultra-Large Current Zinc-Air Batteries

Abstract

This study developed a symbiotic dual-confinement strategy integrating interstitial oxygen doping and carbon coating to enhance high-entropy alloys for high-current-density zinc-air batteries. Through the combination of theoretical cluster models with the experimental synthesis of MnFeCoNiCu@C high-entropy alloys, the synergistic suppression of demetalization and kinetic optimization was investigated. The dual-confined high-entropy alloys exhibited no significant attenuation for 1600 h in zinc-air batteries and resisted large current of 100 mA cm^–2 impacts, with density functional theory calculations confirming lower d-band centers and higher formation energies, correlating with enhanced durability and reaction kinetics. This approach simultaneously addresses atomic-scale metal dissolution and nanoscale mass transfer limitations, surpassing conventional coating strategies. The findings establish a framework for designing robust high-entropy alloys, advancing their application in high-demand electrocatalysis and energy conversion technologies.

Keywords

DFT-based HEAs supercluster modeling / dual-confinement strategy / high-entropy alloys / zinc-air battery

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2025 The Author(s). Energy & Environmental Materials published by John Wiley & Sons Australia, Ltd on behalf of Zhengzhou University.