Article ID Journal Published Year Pages File Type
5384370 Chemical Physics Letters 2011 6 Pages PDF
Abstract
► Site-specific polarizabilities indicate differences in the response to external electric fields at sites on the surface of an atomic cluster. ► Molecular adsorption energies for adsorption of H2O and NH3 on Nan are found to be correlated to the values of site-specific polarizabilities; the strongest adsorption occurs at sites with the largest site-specific polarizabilities. ► The correlation does not appear to extend to cases involving strong chemisorption of molecules onto clusters, such as the binding of O2 on Nan.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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