Electrocatalytic performance of Mn-adsorbed g-C<sub>3</sub>N<sub>4</sub>: a first-principles study
Liu Guo, Rui Li, Jiawei Jiang, Ji‐Jun Zou, Wenbo Mi
Abstract
Adsorbed intermediates can induce magnetic moment changes of g-C 3 N 4 and the interaction between the reaction intermediates and Mn active center mainly comes from the specific hybridization of O-p and Mn-d orbitals.
Topics & Concepts
AdsorptionMagnetic momentManganeseAtomic orbitalChemistryCenter (category theory)CrystallographyMaterials sciencePhysical chemistryPhysicsElectronCondensed matter physicsOrganic chemistryNuclear physicsElectrocatalysts for Energy ConversionAdvanced Photocatalysis TechniquesAdvanced battery technologies research