Adsorption energies of porphyrins on MgO(100): An experimental benchmark for dispersion-corrected density-functional theory
Alexander Wolfram, Quratulain Tariq, Cynthia C. Fernández, Maximilian Muth, Martin Gurrath, Daniel Wechsler, Matthias Franke, Federico J. Williams, Hans‐Peter Steinrück, Bernd Meyer, Ole Lytken
Topics & Concepts
Density functional theoryAdsorptionvan der Waals forceDesorptionChemistryMonolayerDispersion (optics)Binding energyPhysical chemistryZincComputational chemistryThermodynamicsAnalytical Chemistry (journal)Atomic physicsMoleculePhysicsQuantum mechanicsOrganic chemistryBiochemistryMolecular Junctions and NanostructuresSurface Chemistry and CatalysisSurface and Thin Film Phenomena