Orbitally Matched Edge-Doping in Graphene Nanoribbons.
A series of trigonal planar N-, O-, and S-dopant atoms incorporated along the convex protrusion lining the edges of bottom-up synthesized chevron graphene nanoribbons (cGNRs) induce a characteristic shift in the energy of conduction and valence band edge states along with a significant reduction of...
| Publicado en: | Journal of the American Chemical Society Vol. 140; no. 2; pp. 807 - 814 |
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| Autores principales: | , , , , , , , , |
| Formato: | Artículo |
| Publicado: |
American Chemical Society
1/17/2018
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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=127449395&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 127449395 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: 1/17/2018 vid: 140 iid: 2 pid: 997 pub: American Chemical Society artinfo: ui: 127449395 10.1021/jacs.7b11886 ppf: 807 ppct: 7 formats: tig: atl: Orbitally Matched Edge-Doping in Graphene Nanoribbons. aug: au: Durr, Rebecca A. Haberer, Danny Blackwell, Raymond Kalayjian, Alin Miksi Marangoni, Tomas 8224Fischer, Felix R Lee, Yea-Lee Louie, Steven G. Ihm, Jisoon affil: Department of Chemistry, University of California Berkeley, Berkeley, California 94720, United States "Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States Kavli Energy NanoSciences Institute, University of California Berkeley and the Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States Department of Cell Biology, New York University Medical Center, New York, New York, U.S.A su: Graphene Nanoribbons Valence bands Monomers Density functional theory Charge transfer Nanostructures sug: subj: Graphene Nanoribbons Valence bands Monomers Density functional theory Charge transfer Nanostructures ab: A series of trigonal planar N-, O-, and S-dopant atoms incorporated along the convex protrusion lining the edges of bottom-up synthesized chevron graphene nanoribbons (cGNRs) induce a characteristic shift in the energy of conduction and valence band edge states along with a significant reduction of the band gap of up to 0.3 eV per dopant atom per monomer. A combination of scanning probe spectroscopy and density functional theory calculations reveals that the direction and the magnitude of charge transfer between the dopant atoms and the cGNR backbone are dominated by inductive effects and follow the expected trend in electronegativity. The introduction of heteroatom dopants with trigonal planar geometry ensures an efficient overlap of a p-orbital lone-pair centered on the dopant atom with the extended π-system of the cGNR backbone effectively extending the conjugation length. Our work demonstrates a widely tunable method for band gap engineering of graphene nanostructures for advanced electronic applications. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2018 holdings: @attributes: islocal: N |
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