Correlation between the activity of Fe@ (N, S, and P) doped graphene catalysts and the coordination environment: A density functional theory study
Manjiao Chen, Xinqiang Yi, Xinjun Hu, Xinjun Zhou, Jianping Tian, Xiulan Li
Topics & Concepts
GrapheneCatalysisDopingAtom (system on chip)Hydrogen atomMaterials scienceDensity functional theoryCoordination numberChemical physicsCrystallographyNanotechnologyChemistryComputational chemistryOptoelectronicsOrganic chemistryComputer scienceAlkylIonEmbedded systemElectrocatalysts for Energy ConversionAdvanced Photocatalysis TechniquesAdvancements in Battery Materials