Stable single iron atom within two-dimensional porphyrin sheet catalysis for CO oxidation: A computational investigation
Kefeng Xie, Shengyuan Xu, Kai Xu, Jie Wang, Longjun Ma, Jun‐Bing Lin
Topics & Concepts
CatalysisPorphyrinDensity functional theoryChemistryMolecular dynamicsPhotochemistryAtom (system on chip)Materials scienceComputational chemistryOrganic chemistryComputer scienceEmbedded systemCatalytic Processes in Materials ScienceElectrocatalysts for Energy ConversionCatalysts for Methane Reforming