Structural studies of nanodiamond by high-energy X-ray diffraction

Hawelek, L., Brodka, A., Dore, John C., Honkimaki, V., Tomita, S., Burian, A. (2008) Structural studies of nanodiamond by high-energy X-ray diffraction. Diamond and Related Materials, 17 (7-10). pp. 1186-1193. ISSN 0925-9635. (doi:10.1016/j.diamond.2008.01.107) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

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Official URL
http://dx.doi.org/10.1016/j.diamond.2008.01.107

Abstract

The atomic scale structure of explosive diamond nanoparticles has been studied using high-energy X-ray diffraction. The diffraction data have been converted to the real space representation in the form of the radial distribution function. Spherical and truncated octahedron nanodiamond clusters containing from 729 to 1182 atoms have been computer generated and then relaxed using the molecular dynamics method with the reactive empirical bond order potential for carbon-carbon interaction and the Lennard-Jones potential with parameters for inter-layer interactions. Validity of such constructed models has been verified by comparison of the simulations and the experimental data in both real and reciprocal space. The obtained results show that the structure of the investigated diamond nanoparticles cannot be satisfactorily described in terms of the model based on the perfect diamond lattice. The core-shell model with an average size of 22.5-23.4 angstrom, consisting of the diamond core and the graphite-like shell, accounts very well for the experimental data.

Item Type: Article
DOI/Identification number: 10.1016/j.diamond.2008.01.107
Additional information: Proceedings paper
Uncontrolled keywords: Diamond; Nanocrystals; X-ray diffraction; Molecular dynamics
Subjects: Q Science
Q Science > QC Physics
Divisions: Faculties > Sciences > School of Physical Sciences
Depositing User: Maggie Francis
Date Deposited: 06 Oct 2009 11:10 UTC
Last Modified: 07 Jun 2019 09:27 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/13378 (The current URI for this page, for reference purposes)
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