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Título: | Submonolayer adsorption of potassium on reconstructed and unreconstructed Cu(110): structure and phonons |
Autor: | Borisova, S. D.; Rusina, G. G.; Eremeev, Sergey V.; Chulkov, Eugene V. CSIC ORCID | Fecha de publicación: | 2017 | Editor: | American Chemical Society | Citación: | Journal of Physical Chemistry C 121(41): 22969-22976 (2017) | Resumen: | We present a theoretical investigation of the structural and vibrational properties of the K/Cu(110) adsorbed systems using the embedded atom method. The surface relaxation, phonon dispersions, and polarization of vibrational modes as well as the local density of states have been calculated as a function of potassium coverage on reconstructed and unreconstructed Cu(110) surface. On the reconstructed surface, two K-substrate stretching modes have been found, which do not show any coverage dependence. The obtained vibrational frequencies of surface states are in close agreement with available experimental data. | URI: | http://hdl.handle.net/10261/177277 | DOI: | 10.1021/acs.jpcc.7b08117 | Identificadores: | doi: 10.1021/acs.jpcc.7b08117 e-issn: 1932-7455 issn: 1932-7447 |
Aparece en las colecciones: | (CFM) Artículos |
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