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Breaking the symmetry of high-entropy alloy surfaces for compressively strain-tuned oxygen reduction reaction

Lin He, Menggang Li, Longyu Qiu, Xue Ren, Fenyang Tian, Jie Sheng, Yequn Liu, Mingchuan Luo, Xin Zhou, Yongsheng Yu, Weiwei Yang, Shaojun Guo

2025Nature Communications19 citationsDOIOpen Access PDF

Abstract

A largely unexplored approach for optimizing surface strains on terrace-type catalysts is the break of atomic symmetry to release surface stress. The key challenge lies in how to implement this approach into practical nanocatalysts, in particular the promising high-entropy alloys (HEAs). Herein, we design and synthesize a series of HEA nanorings (NRs) with abundant terrace-type defects for oxygen reduction reaction (ORR) electrocatalysis. The asymmetry-triggered release of surface stress enables the modulation of compressive strain for optimizing the electronic structure. On the optimally-tuned PtPdFeCoNi HEA NRs, we achieve mass and specific activities of 0.99 A mg-1platinum group metal (PGM) and 1.32 mA cm-2PGM at 0.95 V versus reversible hydrogen electrode (vs. RHE), demonstrating a competitive performance. Experimental and theoretical investigations unveil that the stress-released compressive strain lowers the d-band center of Pt sites in HEA NRs, resulting in favorable desorption of oxygenated intermediates and thus accelerated ORR kinetics. Breaking the symmetry of high-entropy alloy surfaces for delicate strain tuning is highly appealing for electrocatalysis. Herein, high-entropy alloy nanorings with stress-release-driven compressive strain at stepped defects are reported for efficient oxygen reduction reaction.

Topics & Concepts

AlloyMaterials scienceDesorptionCatalysisHydrogenSurface stressMetalStrain (injury)Symmetry (geometry)Chemical physicsElectrodeOxygenStress (linguistics)ElectrocatalystReaction intermediateChemical engineeringReduction (mathematics)Transition metalSurface (topology)Surface reconstructionElectronic structureCompressive strengthModulation (music)Symmetry breakingOxygen reduction reactionSubstrate (aquarium)RedoxReversible hydrogen electrodeDensity functional theoryNanotechnologyChemistryPseudoelasticityElectrocatalysts for Energy ConversionMachine Learning in Materials ScienceHigh Entropy Alloys Studies
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