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- W2071537954 abstract "Local partial and total densities of states for AgCl nanocrystals with the adsorbed silver ion were calculated by semi-empirical tight-binding method relying on a self-consistent approach for the effective charges and dipole moments of the ions. Adsorption was considered as on the atomically-rough surface (near the step and step fracture) as on the smooth surface. Visualization of the wave functions was performed for the localized states. Basing on the obtained data a conclusion is specifically made that one can expect an enhancement of photoelectron localization with a decrease of the anions number in the substrate nearest to the adsorbed ion. It means that the most efficient trapping of photoelectron should occur under adsorption on a smooth surface rather than near the steps and their fractures as it was assumed previously." @default.
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- W2071537954 date "2009-08-01" @default.
- W2071537954 modified "2023-10-18" @default.
- W2071537954 title "On the localization of electron states near silver ion adsorbed on atomic-rough surface of AgCl nanocrystal" @default.
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- W2071537954 doi "https://doi.org/10.1016/j.susc.2009.06.005" @default.
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