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Intrinsic stabilization of vacancies in catalysts <i>via</i> high-entropy approach for lithium-sulfur batteries

Chenghao Zhao, Yang Huang, Pengyu Wang, Zhaoyu Chen, Yu Zhang, Naiqing Zhang

2025National Science Review15 citationsDOIOpen Access PDF

Abstract

ABSTRACT Oxygen vacancies (VO) have been considered as a significant strategy to improve the performance of catalysts in Li-S batteries. However, the highly active VO are a double-edged sword, as their instability can undermine long-term cycle performance. Therefore, it is essential to stabilize VO while maintaining their high activity. Here, five different metal elements are dissolved into the lattice structure of two-dimensional oxides to construct intrinsically stable and active VO for better lithium-sulfur catalysts. The unique electronic and crystal structure in high-entropy oxide endows the changed differentiated formation energies and high diffusion energy barrier of VO to form intrinsically stable VO. The Li-S batteries with stable VO in the electrocatalyst deliver a high specific capacity of 1301 mAh g−1 at 0.2C and low capacity fading of 0.032% per cycle after 2000 cycles at 1C. This work will inspire efforts on breaking the trade-off between activity and stability in heterogeneous catalysis beyond Li-S batteries.

Topics & Concepts

CatalysisMaterials scienceOxideChemical engineeringMetalWork (physics)DiffusionCrystal structureHigh energyNanotechnologyLattice (music)ElectrocatalystOxygenChemical physicsInstabilityRational designLattice constantStructural stabilityCrystal (programming language)Electronic structureTransition metalCatalytic cycleStability (learning theory)Chemical stabilityKineticsActivation energyAdvanced Battery Materials and TechnologiesIntermetallics and Advanced Alloy PropertiesSemiconductor materials and interfaces
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