Enhancing OER performance via short-range ordered quantum dots in medium-entropy compounds
Qingqing Cai, Rui Xu, Tao Wang, Lengyuan Niu, Yinyan Gong, Can Li
Abstract
catalyst demonstrated a low overpotential and outstanding long-term stability compared to others. Density functional theory simulations revealed that the incorporation of Co and Ni atoms increased the configurational entropy and facilitated the formation of short-range ordered QDs. This modification effectively lowered the chemical activity of Fe site, contributing to the enhanced catalytic performance. This design approach provides a promising strategy for advancing MEC, offering a pathway to improve their catalytic efficiency for various applications.
Topics & Concepts
OverpotentialCatalysisQuantum dotEntropy (arrow of time)Configuration entropyDensity functional theoryNanotechnologyChemical physicsQuantum chemicalOxygen evolutionMaterials scienceChemistryComputational chemistryThermodynamicsPhysical chemistryMoleculePhysicsElectrochemistryElectrodeOrganic chemistryElectrocatalysts for Energy ConversionElectrochemical Analysis and ApplicationsMachine Learning in Materials Science