Geometry and Electronic Coupling in Perylenediimide Stacks: Mapping Structure—Charge Transport Relationships.
The article focuses on a research which uses Density Functional Theory (DFT) in mapping the stacking geometry, electronic coupling, and binding energy relationship for organic semiconductor perylenediimide (PDI). It states that the PDI dimer's basis set superposition error (BSSE)-corrected binding e...
| Publicado en: | Journal of the American Chemical Society Vol. 132; no. 6; pp. 1738 - 1740 |
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| Autores principales: | , , |
| Formato: | Artículo |
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American Chemical Society
2/17/2010
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| 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=48404834&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 48404834 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: 2/17/2010 vid: 132 iid: 6 pid: 997 pub: American Chemical Society artinfo: ui: 48404834 10.1021/ja907761e ppf: 1738 ppct: 2 formats: tig: atl: Geometry and Electronic Coupling in Perylenediimide Stacks: Mapping Structure—Charge Transport Relationships. aug: au: Vura-Weis, Josh Ratner, Mark A. Wasielewski, Michael A. affil: Department of Chemistry and Argonne-Northwestern Solar Energy Research (ANSER) Center, Northwestern University, Evanston. Illinois 60208-3113 su: Density functionals Binding energy Organic semiconductors Basis sets (Quantum mechanics) Organic thin films sug: subj: Density functionals Binding energy Organic semiconductors Basis sets (Quantum mechanics) Organic thin films ab: The article focuses on a research which uses Density Functional Theory (DFT) in mapping the stacking geometry, electronic coupling, and binding energy relationship for organic semiconductor perylenediimide (PDI). It states that the PDI dimer's basis set superposition error (BSSE)-corrected binding energy was calculated while electronic coupling was determined in the study. Results show that PDI organic thin film transistors (OTFTs) demonstrate ambipolar behavior. 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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