Catalytic activity trends of pyrite transition metal dichalcogenides for oxygen reduction and evolution
Wooseok Lee, Jong Seung Kim, Heejin Kim, Seoin Back
Abstract
using only atomic and bulk properties to readily estimate the catalytic activities of pyrite TMDs and to explore correlations between those properties. Particularly, we found that the electron affinity and bulk Bader charges of metal atoms are critical in determining the ORR and OER catalytic activities, which could be used as a guidance for future catalyst design.
Topics & Concepts
PyriteTransition metalCatalysisOxygen reductionOxygen reduction reactionOxygenReduction (mathematics)MetalInorganic chemistryChemistryMaterials scienceMineralogyMetallurgyPhysical chemistryElectrochemistryOrganic chemistryMathematicsGeometryElectrodeAdvanced Nanomaterials in CatalysisElectrocatalysts for Energy ConversionElectrochemical Analysis and Applications