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Variable step radial ordering in carbon onions

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journal contribution
posted on 06.03.2015, 16:48 by Alexandra Siklitskaya, Sergey Yastrebov, Roger SmithRoger Smith
We analyse the radial distribution of atoms in carbon onions optimised using a combination of classical molecular dynamics and density functional theory. X-ray diffractograms of thermally annealed nanodiamonds are also exploited together with high-resolution transmission electron microscopy data published elsewhere. The internal radial ordering of atoms inside the onions was determined showing a gradual change of intershell separation as a function of radius. This change may result in a twisted internal structure of the onions. The influence of atomic defects appearing in the shells altering their curvature on the formation of twisted onions is discussed.

History

School

  • Science

Department

  • Mathematical Sciences

Published in

DIAMOND AND RELATED MATERIALS

Volume

32

Pages

32 - 35 (4)

Citation

SIKLITSKAYA, A. YASTREBOV, S. and SMITH, R., 2013. Variable step radial ordering in carbon onions. Diamond and Related Materials, 32, pp. 32 - 35.

Publisher

© Elsevier B.V.

Version

AM (Accepted Manuscript)

Publisher statement

This work is made available according to the conditions of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by-nc-nd/4.0/

Publication date

2013

Notes

NOTICE: this is the author’s version of a work that was accepted for publication in Diamond and Related Materials. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Diamond and Related Materials, Vol 32, February 2013, DOI: 10.1016/j.diamond.2012.11.012

ISSN

0925-9635

Language

en