Email this article Structural surface elements of diamond-core nanoparticles
- Authors: Vorontsov A.V.1, Novakovskaya Y.V.1
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Affiliations:
- Moscow State University
- Issue: Vol 467, No 1 (2016)
- Pages: 69-72
- Section: Chemistry
- URL: https://journals.rcsi.science/0012-5008/article/view/153588
- DOI: https://doi.org/10.1134/S0012500816030071
- ID: 153588
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Abstract
Ab initio modeling of Cn clusters comprising up to 250 atoms and having a diamond core revealed stable primary surface elements of nondiamond nature. At large local curvature of the surface, pentaatomic rings dominate. At a smaller local curvature, the fraction of six-membered rings increases, and so does the fraction of structures that resemble open fragments of fullerenes and nuclei of cross-sectional segments of nanotubes.
About the authors
A. V. Vorontsov
Moscow State University
Author for correspondence.
Email: jvnovakovskaya@gmail.com
Russian Federation, Moscow, 119991
Yu. V. Novakovskaya
Moscow State University
Email: jvnovakovskaya@gmail.com
Russian Federation, Moscow, 119991
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