Magnetic Properties and Electrocatalytic Oxygen Evolution Performance of a Medium-Entropy Metal Nitride

Huashuai Hu, Xiaohui Yan, Xiaoli Wang, Congling Yin*, John Paul Attfield*, Minghui Yang*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

The advancement of highly efficient and durable electrocatalysts for the oxygen evolution reaction (OER) is essential for advancing sustainable hydrogen energy technologies. In this study, we synthesized a novel medium-entropy metal nitride (MEMN), FeCoNiZnN, with an antiperovskite structure through a solid-phase reaction method. FeCoNiZnN displays ferromagnetism above 350 K and demonstrates exceptional OER performance with a specific activity 141 times greater than that of Co3ZnN, with an overpotential of only 301 mV at 10 mA cm-2, comparable to that of commercial RuO2 catalysts, and exhibits superior durability. Density functional theory (DFT) calculations reveal that the enhanced catalytic performance is due to optimized electronic properties and improved d-band centers, which enhance the adsorption of oxygen intermediates and reduce the free energy barriers at the rate-determining step. This study highlights the potential of MEMNs in developing advanced magnetic materials and novel electrocatalysts.

Original languageEnglish
Pages (from-to)11432-11439
Number of pages8
JournalChemistry of Materials
Volume36
Issue number23
Early online date21 Nov 2024
DOIs
Publication statusE-pub ahead of print - 21 Nov 2024

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