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Site-selective local fluorination of graphene induced by focused ion beam irradiation
Uppsala University, Disciplinary Domain of Science and Technology, Technology, Department of Engineering Sciences, Applied Materials Sciences. (Electron microscopy and Nanoengineering)ORCID iD: 0000-0003-1050-8441
Institut de Sciences des Matériaux de Mulhouse.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and condensed matter physics.
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2016 (English)In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 6, 19719Article in journal (Refereed) Published
Abstract [en]

The functionalization of graphene remains an important challenge for numerous applications expected by this fascinating material. To keep advantageous properties of graphene after modification or functionalization of its structure, local approaches are a promising road. A novel technique is reported here that allows precise site-selective fluorination of graphene. The basic idea of this approach consists in the local radicalization of graphene by focused ion beam (FIB) irradiation and simultaneous introduction of XeF2 gas. A systematic series of experiments were carried out to outline the relation between inserted defect creation and the fluorination process. Based on a subsequent X-ray photoelectron spectroscopy (XPS) analysis, a 6-fold increase of the fluorine concentration on graphene under simultaneous irradiation was observed when compared to fluorination under normal conditions. The fluorine atoms are predominately localized at the defects as indicated from scanning tunneling microscopy (STM). The experimental findings are confirmed by density functional theory which predicts a strong increase of the binding energy of fluorine atoms when bound to the defect sites. The developed technique allows for local fluorination of graphene without using resists and has potential to be a general enabler of site-selective functionalization of graphene using a wide range of gases.

Place, publisher, year, edition, pages
2016. Vol. 6, 19719
Keyword [en]
graphene, site-selective, fluorination, focused ion beam
National Category
Materials Engineering
URN: urn:nbn:se:uu:diva-268033DOI: 10.1038/srep19719ISI: 000368926300001PubMedID: 26822900OAI: oai:DiVA.org:uu-268033DiVA: diva2:875525
Knut and Alice Wallenberg Foundation
Available from: 2015-12-01 Created: 2015-12-01 Last updated: 2016-09-25Bibliographically approved
In thesis
1. Influence of defects and impurities on the properties of 2D materials
Open this publication in new window or tab >>Influence of defects and impurities on the properties of 2D materials
2016 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Graphene, the thinnest material with a stable 2D structure, is a potential alternative for silicon-based electronics. However, zero band gap of graphene causes a poor on-off ratio of current thus making it unsuitable for logic operations. This problem prompted scientists to find other suitable 2D materials. Creating vacancy defects or synthesizing hybrid 2D planar interfaces with other 2D materials, is also quite promising for modifying graphene properties. Experimental productions of these materials lead to the formation of possible defects and impurities with significant influence in device properties. Hence, a detailed understanding of the effects of impurities and defects on the properties of 2D systems is quite important.

In this thesis, detailed studies have been done on the effects of impurities and defects on graphene, hybrid graphene/h-BN and graphene/graphane structures, silicene and transition metal dichalcogenides (TMDs) by ab-initio density functional theory (DFT). We have also looked into the possibilities of realizing magnetic nanostructures, trapped at the vacancy defects in graphene, at the reconstructed edges of graphene nanoribbons, at the planar hybrid h-BN graphene structures, and in graphene/graphane interfaces. A thorough investigation of diffusion of Fe adatoms and clusters by ab-initio molecular dynamics simulations have been carried out along with the study of their magnetic properties. It has been shown that the formation of Fe clusters at the vacancy sites is quite robust. We have also demonstrated that the quasiperiodic 3D heterostructures of graphene and h-BN are more stable than their regular counterpart and certain configurations can open up a band gap. Using our extensive studies on defects, we have shown that defect states occur in the gap region of TMDs and they have a strong signature in optical absorption spectra. Defects in silicene and graphene cause an increase in scattering and hence an increase in local currents, which may be detrimental for electronic devices. Last but not the least, defects in graphene can also be used to facilitate gas sensing of molecules as well as and local site selective fluorination.  

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2016. 100 p.
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 1432
2D Materials, Defects on 2D materials, Impurities on 2D materials
National Category
Condensed Matter Physics Atom and Molecular Physics and Optics
Research subject
Physics with spec. in Atomic, Molecular and Condensed Matter Physics
urn:nbn:se:uu:diva-300970 (URN)978-91-554-9699-9 (ISBN)
Public defence
2016-11-11, Polhemsalen Ång/10134, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala, 10:15 (English)
Available from: 2016-10-19 Created: 2016-08-16 Last updated: 2016-10-19

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