Boosting the electrocatalytic performance of NiFe layered double hydroxides for the oxygen evolution reaction by exposing the highly active edge plane (012)
J. W. Zhao, Zixiao Shi, Chengfei Li, Lin‐Fei Gu, Gao‐Ren Li
Abstract
, representing the excellent electrocatalytic activity for the OER in alkaline media. Besides, we analyzed the OER activities of the (003) basal plane and the (012) and (110) edge planes of NiFe LDHs by density functional theory with on-site Coulomb interactions (DFT+U), and the calculation results indicated that the (012) edge plane exhibits the best catalytic performance among the various crystal planes because of the oxygen coordination of the Fe site, which is responsible for the high catalytic activity of NiFe NSAs-MPs.
Topics & Concepts
Layered double hydroxidesOxygen evolutionNanosheetMaterials scienceBasal planeChemical engineeringOxygenBoosting (machine learning)ElectrocatalystNanotechnologyChemistryInorganic chemistryElectrodeHydroxideElectrochemistryCrystallographyComputer scienceOrganic chemistryPhysical chemistryMachine learningEngineeringElectrocatalysts for Energy ConversionAdvanced battery technologies researchFuel Cells and Related Materials