Optical spectrum of bottom-up graphene nanoribbons: towards efficient atom-thick excitonic solar cells

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dc.contributor.authorVillegas, Cesar E. P. [UNESP]
dc.contributor.authorMendonca, P. B.
dc.contributor.authorRocha, A. R. [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.contributor.institutionUniversidade de São Paulo (USP)
dc.date.accessioned2015-03-18T15:54:16Z
dc.date.available2015-03-18T15:54:16Z
dc.date.issued2014-10-10
dc.description.abstractRecently, atomically well-defined cove-shaped graphene nanoribbons have been obtained using bottom-up synthesis. These nanoribbons have an optical gap in the visible range of the spectrum which make them candidates for donor materials in photovoltaic devices. From the atomistic point of view, their electronic and optical properties are not clearly understood. Therefore, in this work we carry out ab-initio density functional theory calculations combine with many-body perturbation formalism to study their electronic and optical properties. Through the comparison with experimental measurements, we show that an accurate description of the nanoribbon's optical properties requires the inclusion of electron-hole correlation effects. The energy, binding energy and the corresponding excitonic transitions involved are analyzed. We found that in contrast to zigzag graphene nanoribbons, the excitonic peaks in the absorption spectrum are a consequence of a group of transitions involving the first and second conduction and valence bands. Finally, we estimate some relevant optical properties that strengthen the potential of these nanoribbons for acting as a donor materials in photovoltaic.en
dc.description.affiliationUniv Estadual Paulista Julio Mesquita Filho UNESP, Inst Fis Teor, BR-01140070 Sao Paulo, Brazil
dc.description.affiliationUniv Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, Brazil
dc.description.affiliationUnespUniv Estadual Paulista Julio Mesquita Filho UNESP, Inst Fis Teor, BR-01140070 Sao Paulo, Brazil
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.format.extent7
dc.identifierhttp://dx.doi.org/10.1038/srep06579
dc.identifier.citationScientific Reports. London: Nature Publishing Group, v. 4, 7 p., 2014.
dc.identifier.doi10.1038/srep06579
dc.identifier.fileWOS000343082600010.pdf
dc.identifier.issn2045-2322
dc.identifier.lattes4785631459929035
dc.identifier.orcid0000-0001-8874-6947
dc.identifier.urihttp://hdl.handle.net/11449/116848
dc.identifier.wosWOS:000343082600010
dc.language.isoeng
dc.publisherNature Publishing Group
dc.relation.ispartofScientific Reports
dc.relation.ispartofjcr4.122
dc.relation.ispartofsjr1,533
dc.rights.accessRightsAcesso aberto
dc.sourceWeb of Science
dc.titleOptical spectrum of bottom-up graphene nanoribbons: towards efficient atom-thick excitonic solar cellsen
dc.typeArtigo
dcterms.rightsHolderNature Publishing Group
unesp.author.lattes4785631459929035
unesp.author.orcid0000-0002-8762-5876[2]
unesp.author.orcid0000-0001-8874-6947[3]
unesp.author.orcid0000-0003-2675-1331[1]
unesp.campusUniversidade Estadual Paulista (Unesp), Instituto de Física Teórica (IFT), São Paulopt

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