First‐principles based theoretical investigation of the adsorption of alkanethiols on the iron surface: A DFT-D3 study
Hassane Lgaz, Han‐Seung Lee
Topics & Concepts
AdsorptionDensity functional theoryChemistryCovalent bondMoleculeAtom (system on chip)Computational chemistryElectron transferInorganic chemistryPhysical chemistryOrganic chemistryEmbedded systemComputer scienceCorrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsElectrochemical Analysis and Applications