Monte Carlo simulations of the adsorption of potassium on a Cu(111) surface

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dc.contributor.authorPadilla Campos, L
dc.contributor.authorToro Labbe, A
dc.date.accessioned2024-01-10T13:15:10Z
dc.date.available2024-01-10T13:15:10Z
dc.date.issued1998
dc.description.abstractMonte Carlo simulations of the adsorption of potassium on a Cu(111) surface at 80 K and coverages going from theta=0.13 ' to theta=0.26 monolayer are reported. The particles interact through an adsorbate-substrate potential previously derived and through a classical adsorbate-adsorbate Morse-type potential. Interesting results concerning the nature of the adsorbed phase have been obtained: (a) We have found that the potassium adlayer is incommensurate under 1 ML coverage (theta=0.25), but it becomes commensurate at 1 ML, forming a p(2X2) adlayer with respect to the Cu substrate. (b) A procedure to determine the distribution of potassium on different adsorption sites in terms of theta has been developed with the result that top sites are the preferred sites for adsorption, although at low and medium coverages other sites are also occupied. At 1 ML only the top sites are occupied, in good agreement with the available experimental data. (C) 1998 American Institute of Physics. [S0021-9606(98)00712-0].
dc.fechaingreso.objetodigital2024-05-06
dc.format.extent8 páginas
dc.fuente.origenWOS
dc.identifier.doi10.1063/1.476052
dc.identifier.issn0021-9606
dc.identifier.urihttps://doi.org/10.1063/1.476052
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/78477
dc.identifier.wosidWOS:000073073700043
dc.information.autorucQuímica;Toro-Labbé A;S/I;99827
dc.issue.numero15
dc.language.isoen
dc.nota.accesocontenido parcial
dc.pagina.final6465
dc.pagina.inicio6458
dc.publisherAMER INST PHYSICS
dc.revistaJOURNAL OF CHEMICAL PHYSICS
dc.rightsacceso restringido
dc.subjectTOP-SITE ADSORPTION
dc.subjectMETAL ADSORPTION
dc.subjectAL(111)
dc.subjectADSORBATES
dc.subjectNI(111)
dc.subjectNA
dc.titleMonte Carlo simulations of the adsorption of potassium on a Cu(111) surface
dc.typeartículo
dc.volumen108
sipa.codpersvinculados99827
sipa.indexWOS
sipa.indexScopus
sipa.trazabilidadCarga SIPA;09-01-2024
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