Zipping Up: Cooperativity Drives the Synthesis of Graphene Nanoribbons.
We investigate the cooperative effects controlling the synthesis of a graphene nanoribbon on the Au(111) surface starting from an anthracene polymer using density functional calculations including van der Waals interactions. We focus on the high-temperature cyclodehydrogenation step of the reaction...
| Publicado en: | Journal of the American Chemical Society Vol. 133; no. 38; pp. 14884 - 14888 |
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| Autores principales: | , , |
| Formato: | Artículo |
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American Chemical Society
9/28/2011
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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=66650000&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 66650000 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: 9/28/2011 vid: 133 iid: 38 pid: 997 pub: American Chemical Society artinfo: ui: 66650000 10.1021/ja205857a ppf: 14884 ppct: 4 formats: tig: atl: Zipping Up: Cooperativity Drives the Synthesis of Graphene Nanoribbons. aug: au: Björk, Jonas Stafström, Sven Hanke, Felix affil: Department of Physics, Chemistry and Biology, IFM, Linköping University, Sweden Surface Science Research Centre, Department of Chemistry, University of Liverpool, Liverpool L69 3BX, U.K. su: Graphene Anthracene Polymers Density functionals Van der Waals forces Dehydrogenation sug: subj: Graphene Anthracene Polymers Density functionals Van der Waals forces Dehydrogenation ab: We investigate the cooperative effects controlling the synthesis of a graphene nanoribbon on the Au(111) surface starting from an anthracene polymer using density functional calculations including van der Waals interactions. We focus on the high-temperature cyclodehydrogenation step of the reaction and find that the reaction proceeds by simultaneously transferring two H-atoms from the anthracene units to the Au surface, leaving behind a C-C bond in the process. This step is significantly more favorable than the three other potential reaction paths. Moreover, we find that successive dehydrogenations proceed from one end of the polyanthracene and propagate step-by-step through the polymer in a domino-like fashion. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2011 holdings: @attributes: islocal: N |
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