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Robust theoretical modelling of core ionisation edges for quantitative electron energy loss spectroscopy of B- and N-doped graphene.

Abstract:

Electron energy loss spectroscopy (EELS) is a powerful tool for understanding the chemical structure of materials down to the atomic level, but challenges remain in accurately and quantitatively modelling the response. We compare comprehensive theoretical density functional theory (DFT) calculations of 1s core-level EEL K-edge spectra of pure, B-doped and N-doped graphene with and without a core-hole to previously published atomic-resolution experimental electron microscopy data. The ground s...

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Publication status:
Published
Peer review status:
Peer reviewed
Version:
Accepted manuscript

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Publisher copy:
10.1088/1361-648X/aa6c4f

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Department:
Oxford, MPLS, Materials
Role:
Author
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Publisher:
Institute of Physics Publisher's website
Journal:
Journal of Physics: Condensed Matter Journal website
Volume:
29
Issue:
22
Pages:
225303
Publication date:
2017-05-05
Acceptance date:
2017-04-10
DOI:
EISSN:
1361-648X
ISSN:
0953-8984
Pubs id:
pubs:689698
URN:
uri:39bd5335-8a1a-4a61-acac-c2092383d0c4
UUID:
uuid:39bd5335-8a1a-4a61-acac-c2092383d0c4
Local pid:
pubs:689698
Language:
English
Keywords:

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