Single transition metal atom embedded antimonene monolayers as efficient trifunctional electrocatalysts for the HER, OER and ORR: a density functional theory study
Song Lu, Huong Lan Huynh, Fengliu Lou, Kun Guo, Zhixin Yu
Abstract
of 0.50 V, followed by Pd@, Rh@, Cd@ and Pt@Sb monolayers. Compared with pristine antimonene, only the noble metal atom could improve its OER and ORR performance effectively, and the Pt@Sb monolayer can be a trifunctional electrocatalyst for the HER/OER/ORR. Therefore, our calculations highlight a new type of SAC based on antimonene, which can be useful for energy conversion and storage.
Topics & Concepts
MonolayerTransition metalMaterials scienceAtom (system on chip)Density functional theoryMetalNanotechnologyCombinatorial chemistryChemistryCatalysisComputational chemistryOrganic chemistryMetallurgyComputer scienceEmbedded systemElectrocatalysts for Energy ConversionAmmonia Synthesis and Nitrogen ReductionFuel Cells and Related Materials