Rational design of 2D MBene-based bifunctional OER/ORR dual-metal atom catalysts: a DFT study
Yiwei Mou, Yanwei Wang, Yanwei Wang, Jin Wan, Guangxu Yao, Chuanzhen Feng, Huijuan Zhang, Yu Wang, Yu Wang
Abstract
. Our work not only provides new theoretical guidance for developing noble metal-free bifunctional electrocatalysts but also enriches the application of MBenes in electrocatalysis.
Topics & Concepts
BifunctionalCatalysisRational designOxygen evolutionOxygen reduction reactionDual (grammatical number)MetalOxygen atomBifunctional catalystChemistryAtom (system on chip)Dual roleOxygenCombinatorial chemistryMaterials scienceNanotechnologyOrganic chemistryPhysical chemistryElectrochemistryComputer scienceMoleculeElectrodeEmbedded systemLiteratureArtElectrocatalysts for Energy ConversionFuel Cells and Related MaterialsMXene and MAX Phase Materials