Publication | Closed Access
He atom near methane-plated MgO: Interaction and scattering
20
Citations
40
References
1989
Year
EngineeringTheoretical Inorganic ChemistryMagnetic ResonanceElectron DiffractionPotential-energy CalculationsComputational ChemistryChemistryPhysicsChemisorptionAtomic PhysicsPhysical ChemistryQuantum ChemistryAb-initio MethodFixed Dipolar ConfigurationPhysicochemical AnalysisSurface ChemistryNatural SciencesMgo Surface UponMethane-plated Mgo
Scattering experiments and potential-energy calculations are reported for the system consisting of a He atom near a MgO surface upon which is adsorbed a ${\mathrm{CH}}_{4}$ layer. Assuming either a fixed dipolar configuration or free rotation of the molecule, the theoretical potential yields bound-state--resonance (selective-adsorption) positions consistent with those measured experimentally.
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