FeS<sub>2</sub>-anchored transition metal single atoms for highly efficient overall water splitting: a DFT computational screening study
Yingju Yang, Jing Liu, Feng Liu, Zhen Wang, Dawei Wu
Abstract
FeS<sub>2</sub>-anchored transition metal single-atom catalysts show excellent catalytic activity towards the hydrogen evolution reaction.
Topics & Concepts
Transition metalCatalysisWater splittingAtom (system on chip)Materials scienceMetalHydrogenHydrogen atomChemical physicsDensity functional theoryComputational chemistryNanotechnologyChemistryComputer scienceMetallurgyGroup (periodic table)Organic chemistryEmbedded systemBiochemistryPhotocatalysisElectrocatalysts for Energy ConversionAdvanced Photocatalysis TechniquesAdvanced battery technologies research