Coverage-Induced Orientation Change: CO on Ir(111) Monitored by Polarization-Dependent Sum Frequency Generation Spectroscopy and Density Functional Theory
Xia Li, Verena Pramhaas, Christoph Rameshan, Peter Blaha, Günther Rupprechter
Abstract
) of CO (at 0.13 ML in UHV) was determined to be 0.08. Based on the combined SFG/DFT results, it may change to 0.29 at 0.77 ML coverage.
Topics & Concepts
Sum-frequency generationDensity functional theorySpectroscopySum frequency generation spectroscopyPolarization (electrochemistry)Tilt (camera)ChemistryAnalytical Chemistry (journal)Single crystalMolecular physicsHyperpolarizabilityInfrared spectroscopyCarbon monoxideMaterials scienceOpticsMoleculeCrystallographyComputational chemistryNonlinear opticsPhysical chemistryLaserPolarizabilityPhysicsEngineeringMechanical engineeringBiochemistryQuantum mechanicsChromatographyOrganic chemistryCatalysisSpectroscopy and Quantum Chemical StudiesAdvanced Chemical Physics StudiesSpectroscopy and Laser Applications