Computational screening of single-atom catalysts supported by VS<sub>2</sub> monolayers for electrocatalytic oxygen reduction/evolution reactions
Zengming Qin, Zhongxu Wang, Jingxiang Zhao
Abstract
substrate can further effectively improve the ORR/OER activity of the active metal atom to achieve more eligible ORR/OER bifunctional catalysts. Our results not only propose a new class of potential bifunctional oxygen catalysts but also offer a feasible strategy for further tuning their catalytic activity.
Topics & Concepts
BifunctionalCatalysisOxygen evolutionHeteroatomMonolayerElectrocatalystChemistryTransition metalCombinatorial chemistryMaterials scienceNanotechnologyElectrochemistryPhysical chemistryElectrodeOrganic chemistryRing (chemistry)Electrocatalysts for Energy ConversionFuel Cells and Related MaterialsAdvanced Photocatalysis Techniques