| DOI | Trouver le DOI : https://doi.org/10.1016/S0039-6028(01)00941-4 |
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| Auteur | Rechercher : Hofer, W. A.; Rechercher : Fisher, A. J.; Rechercher : Lopinski, G. P.1; Rechercher : Wolkow, R. A.1 |
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| Affiliation | - Conseil national de recherches du Canada. Institut Steacie des sciences moléculaires du CNRC
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| Format | Texte, Article |
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| Sujet | Aromatics; Chemisorption; Density functional calculations; Silicon; Tunneling |
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| Résumé | We 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. |
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| Date de publication | 2001-06-20 |
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| Dans | |
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| Langue | anglais |
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| Numéro NPARC | 12327303 |
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| Exporter la notice | Exporter en format RIS |
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| Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
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| Identificateur de l’enregistrement | e8f9af95-dec6-4a7b-ac40-f0ddbb9e7e75 |
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| Enregistrement créé | 2009-09-10 |
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| Enregistrement modifié | 2020-03-27 |
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