dc.creatorFAVERO, P. P.
dc.creatorFerraz, Armando Corbani
dc.creatorSCHMIDT, W. G.
dc.creatorMIOTTO, R.
dc.date.accessioned2012-10-20T04:10:05Z
dc.date.accessioned2018-07-04T15:40:28Z
dc.date.available2012-10-20T04:10:05Z
dc.date.available2018-07-04T15:40:28Z
dc.date.created2012-10-20T04:10:05Z
dc.date.issued2011
dc.identifierSURFACE SCIENCE, v.605, n.7/Ago, p.824-830, 2011
dc.identifier0039-6028
dc.identifierhttp://producao.usp.br/handle/BDPI/29334
dc.identifier10.1016/j.susc.2011.01.027
dc.identifierhttp://dx.doi.org/10.1016/j.susc.2011.01.027
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1625974
dc.description.abstractIn this work the interaction of cyclopentene with a set of InP(001) surfaces is investigated by means of the density functional theory. We propose a simple approach for evaluating the surface strain and based on it we have found a linear relation between bond and strain energies and the adsorption energy. Our results also indicate that the higher the bond energy, the more disperse the charge distribution is around the adsorption site associated to the high occupied state, a key feature that characterizes the adsorption process. Different adsorption coverages are used to evaluate the proposed equation. Our results suggest that the proposed approach might be extended to other systems where the interaction of the semiconductor surface and the molecule is restricted to first neighbor sites. (C) 2011 Elsevier B.V. All rights reserved.
dc.languageeng
dc.publisherELSEVIER SCIENCE BV
dc.relationSurface Science
dc.rightsCopyright ELSEVIER SCIENCE BV
dc.rightsrestrictedAccess
dc.subjectOrganic molecules
dc.subjectInP(001)
dc.subjectIII-V semiconductors
dc.subjectAdsorption
dc.titleDriving forces for the adsorption of cyclopentene on InP(001)
dc.typeArtículos de revistas


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