Enabling multifunctional electrocatalysts by modifying the basal plane of unifunctional 1T′-MoS<sub>2</sub> with anchored transition metal single atoms
Yuanyuan Wang, Mengru Wang, Zhansheng Lu, Dongwei Ma, Yu Jia
Abstract
Based on first-principles calculations, highly efficient multifunctional single-atom catalysts are realized by modifying the basal plane of unifunctional 1T′-MoS 2 with the supported transition-metal single atoms that create new active sites.
Topics & Concepts
Basal planeTransition metalAtom (system on chip)Materials scienceNanotechnologyCatalysisMetalChemical physicsCrystallographyChemistryMetallurgyComputer scienceOrganic chemistryEmbedded systemElectrocatalysts for Energy ConversionFuel Cells and Related MaterialsAdvanced Photocatalysis Techniques