Point-Charge—Cluster Calculation of Adsorbate Ionization Energies for "Ionic" Metal-Adsorbate Systems
- 19 November 1973
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 31 (21) , 1307-1310
- https://doi.org/10.1103/physrevlett.31.1307
Abstract
Adsorbate ionization energies (energy levels) have been calculated for a number of metal-adsorbate systems that have been studied recently by ultraviolet photoelectron spectroscopy. The method, which is only applicable to highly "ionic" metal-adsorbate systems, is based on a point-charge-cluster approximation to the metal-adsorbate system. Values of the adsorbate ionization energies calculated by this method agree with experiment within at least 10% for the metal-adsorbate systems investigated.Keywords
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