Benzene on silicon: combining STM experiments with first principles studies

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DOIResolve DOI: http://doi.org/10.1016/S0039-6028(01)00941-4
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TypeArticle
Journal titleSurface Science
Volume482-485
IssuePart 2
Pages11811185; # of pages: 5
SubjectAromatics; Chemisorption; Density functional calculations; Silicon; Tunneling
AbstractWe compare scanning tunneling microscope (STM) measurements on the adsorption of benzene on Si(1 0 0) with first principles density functional methods. Adsorption energies and preferred adsorption sites are determined by DFT calculations. The tunnel current is calculated within the transfer-Hamiltonian picture. We show that adsorption energies are reproduced remarkably well by simulations. STM images and line scans are reproduced qualitatively. We discuss the chemical nature of the tip, and we show that the tip used in experiments is consistent with a tungsten terminated tip.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada; NRC Steacie Institute for Molecular Sciences
Peer reviewedNo
NPARC number12327303
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Record identifiere8f9af95-dec6-4a7b-ac40-f0ddbb9e7e75
Record created2009-09-10
Record modified2016-05-09
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