Fujita, Nobuyuki, Hasnip, Philip James orcid.org/0000-0002-4314-4093, Probert, Matthew Ian James orcid.org/0000-0002-1130-9316 et al. (1 more author) (2015) Theoretical study of core-loss electron energy-loss spectroscopy at graphene nanoribbon edges. Journal of physics : Condensed matter. 305301. ISSN 1361-648X
Abstract
A systematic study of simulated atomic-resolution Electronic Energy-Loss Spectroscopy (EELS) for different graphene nanoribbons (GNRs) is presented. The results of ab initio studies of carbon 1s core-loss EELS on GNRs with different ribbon edge structures and different hydrogen terminations show that theoretical core-loss EELS can distinguish key structural features at the atomic scale. In addition, the combination of polarized core-loss EELS with symmetry resolved electronic partial density of states (PDOS) calculations can be used to identify the origins of all the primary features in the spectra. For example, the nature of the GNR edge structure (armchair, zigzag, etc) can be identified, along with the degree of hydrogenation. Hence it is possible to use the combination of ab initio calculations with high resolution, high energy transmission core-loss EELS experiments to determine the local atomic arrangement and chemical bonding states (i.e. a structural fingerprint) in GNRs, which is essential for future practical applications of graphene.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2015 IOP Publishing Ltd. This is an author produced version of a paper published in Journal of Physics: Condensed Matter. Uploaded in accordance with the publisher's self-archiving policy. |
Keywords: | graphene,nanoribbons,ab initio,EELS |
Dates: |
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Institution: | The University of York |
Academic Units: | The University of York > Faculty of Sciences (York) > Physics (York) |
Funding Information: | Funder Grant number EPSRC EP/K013564/1 |
Depositing User: | Pure (York) |
Date Deposited: | 12 Oct 2015 15:02 |
Last Modified: | 16 Oct 2024 12:36 |
Published Version: | https://doi.org/10.1088/0953-8984/27/30/305301 |
Status: | Published |
Refereed: | Yes |
Identification Number: | 10.1088/0953-8984/27/30/305301 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:86579 |
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