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Volume: 43 | Article ID: art00004
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Computational Studies of Silver Clusters Adsorbed on AgBr Cubic Surfaces
  DOI :  10.2352/J.ImagingSci.Technol.1999.43.1.art00004  Published OnlineJanuary 1999
Abstract

Silver clusters adsorbed to different sites on cubic AgBr surfaces have been treated by classical and quantum mechanical methods. The properties computed include structure, bond energies, and ionization energies. The optimized geometry of the adsorbed silver cluster tends to be planar up to and including four atoms in size. Distinct odd–even oscillations in the ionization potential and electron affinity, similar to those known in the gas phase, are found for the adsorbed silver clusters. The site of adsorption exerts a strong effect on the calculated energy levels consistent with Coulombic reasoning based upon formal partial site charges. Structural relaxation of the clusters plays an important role in their electron accepting properties. The Ag2 and Ag4 clusters have a large ionization potential, which correlates with high stability. The Ag3 cluster is less stable, due to midgap levels capable of accepting electrons or holes. Overall, the calculations are consistent with the nucleation and growth model of latent image formation.

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Roger C. Baetzold, "Computational Studies of Silver Clusters Adsorbed on AgBr Cubic Surfacesin Journal of Imaging Science and Technology,  1999,  pp 30 - 37,  https://doi.org/10.2352/J.ImagingSci.Technol.1999.43.1.art00004

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Copyright © Society for Imaging Science and Technology 1999
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