Beneficial effect of Au and Pt doping of the Ag-(100) surface for thiophene and pyridine adsorption from density functional theory calculations
Achraf Benbella, I. Matrane, Michaël Badawi, Sébastien Lebègue∥, M. Mazroui
Topics & Concepts
ThiopheneAdsorptionChemistryPyridineDopantvan der Waals forceDensity functional theoryMoleculeCharge densityDopingPhysical chemistryReactivity (psychology)Computational chemistryAtoms in moleculesCrystallographyOrganic chemistryMaterials sciencePhysicsOptoelectronicsQuantum mechanicsAlternative medicinePathologyMedicineMolecular Junctions and Nanostructures2D Materials and ApplicationsAdvanced Thermoelectric Materials and Devices