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dc.contributor.authorVovusha, Hakkim
dc.contributor.authorAmorim, Rodrigo G.
dc.contributor.authorScheicher, Ralph H.
dc.contributor.authorSanyal, Biplab
dc.date.accessioned2018-02-13T13:43:17Z
dc.date.available2018-02-13T13:43:17Z
dc.date.issued2018
dc.identifier.citationVovusha H, Amorim RG, Scheicher RH, Sanyal B (2018) Controlling the orientation of nucleobases by dipole moment interaction with graphene/h-BN interfaces. RSC Advances 8: 6527–6531. Available: http://dx.doi.org/10.1039/c7ra11664k.
dc.identifier.issn2046-2069
dc.identifier.doi10.1039/c7ra11664k
dc.identifier.urihttp://hdl.handle.net/10754/627114
dc.description.abstractThe interfaces in 2D hybrids of graphene and h-BN provide interesting possibilities of adsorbing and manipulating atomic and molecular entities. In this paper, with the aid of density functional theory, we demonstrate the adsorption characteristics of DNA nucleobases at different interfaces of 2D hybrid nanoflakes of graphene and h-BN. The interfaces provide stronger binding to the nucleobases in comparison to pure graphene and h-BN nanoflakes. It is also revealed that the individual dipole moments of the nucleobases and nanoflakes dictate the orientation of the nucleobases at the interfaces of the hybrid structures. The results of our study point towards a possible route to selectively control the orientation of individual molecules in biosensors.
dc.description.sponsorshipBS and HV acknowledge the Swedish Research Council as well as Knut and Alice Wallenberg Foundation for financial support. RA acknowledges financial support from the Carl Tryggers Foundation and RHS thanks the Swedish Research Council. The Swedish National Infrastructure for Computing (SNIC) and the Uppsala Multidisciplinary Center for Advanced Computational Science (UPPMAX) provided computing time for this project.
dc.publisherRoyal Society of Chemistry (RSC)
dc.relation.urlhttp://pubs.rsc.org/en/content/articlehtml/2018/ra/c7ra11664k
dc.rightsThis Open Access Article is licensed under a Creative Commons Attribution 3.0 Unported Licence
dc.rights.urihttp://creativecommons.org/licenses/by/3.0/
dc.titleControlling the orientation of nucleobases by dipole moment interaction with graphene/h-BN interfaces
dc.typeArticle
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalRSC Advances
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionDivision of Materials Theory, Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala, Sweden
dc.contributor.institutionUniversidade Federal Fluminense – UFF, Departamento de Fısica, ICEx, R. Des. Ellis Hermydio Figueira, 783, Aterrado, Volta Redonda – RJ, Brazil.
kaust.personVovusha, Hakkim
refterms.dateFOA2018-06-14T05:17:09Z


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This Open Access Article is licensed under a Creative Commons Attribution 3.0 Unported Licence
Except where otherwise noted, this item's license is described as This Open Access Article is licensed under a Creative Commons Attribution 3.0 Unported Licence