The Chameleonic Nature of Electron Transport through π-Stacked Systems.
The article presents a study which examines the properties of electron transport in π-stacked benzene rings through metallic electrodes. The study made transport calculations using green-density functional tight binding (gDFTB ), along with density functional theory with an exchange-correlation func...
| Publicado en: | Journal of the American Chemical Society Vol. 132; no. 23; pp. 7887 - 7890 |
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| Autores principales: | , , , , |
| Formato: | Artículo |
| Publicado: |
American Chemical Society
6/16/2010
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| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=51796618&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 51796618 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 6/16/2010 vid: 132 iid: 23 pid: 997 pub: American Chemical Society artinfo: ui: 51796618 10.1021/Ja102434m ppf: 7887 ppct: 3 formats: tig: atl: The Chameleonic Nature of Electron Transport through π-Stacked Systems. aug: au: Solomon, Gemma C. Herrmann, Carmen Vura-Weis, Josh Wasielewski, Michael R. Ratner, Mark A. affil: Department of Chemistry and Argonne-Northwestern Solar Energy Research (ANSER) Center, Northwestern University, Evanston, Illinois 60208-3113, USA su: Electron transport Molecules Benzene Electrodes Density functionals sug: subj: Electron transport Molecules Benzene Electrodes Density functionals ab: The article presents a study which examines the properties of electron transport in π-stacked benzene rings through metallic electrodes. The study made transport calculations using green-density functional tight binding (gDFTB ), along with density functional theory with an exchange-correlation functional suited for intermolecular interactions. Results show that spatial dislocation lessens the energy window in sites where maximum resonant transmission is detected. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2010 holdings: @attributes: islocal: N |
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