Modulating the electronic structure of MoS2 nanosheets by Mn doping for improving hydrogen evolution reaction: an experimental and theoretical DFT-QTAIM study
Héctor D. Morales-Rodríguez, K. Nguyen-Ba, Fei Chen, Qiang Shen, Rong Tu, L.M. Zhang, F.L. Castillo-Alvarado, Juan I. Rodriguez‐Hernandez, Jorge Roberto Vargas-García
Topics & Concepts
OverpotentialMaterials scienceTafel equationDopantDensity functional theoryDopingElectronic structureAtom (system on chip)Chemical physicsConductivityPhysical chemistryComputational chemistryOptoelectronicsChemistryElectrochemistryElectrodeComputer scienceEmbedded systemElectrocatalysts for Energy ConversionMXene and MAX Phase MaterialsAdvanced Photocatalysis Techniques