Structural and Electronic Properties of Isolated Nanodiamonds [electronic resource] : A Theoretical Perspective
- Washington, D.C. : United States. Dept. of Energy, 2004.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
- Physical Description:
- PDF-file: 10 pages; size: 2.1 Mbytes
- Additional Creators:
- Lawrence Berkeley National Laboratory
United States. Department of Energy
United States. Department of Energy. Office of Scientific and Technical Information
- Nanometer sized diamond has been found in meteorites, proto-planetary nebulae and interstellar dusts, as well as in residues of detonation and in diamond films. Remarkably, the size distribution of diamond nanoparticles appears to be peaked around 2-5 nm, and to be largely independent of preparation conditions. Using ab-initio calculations, we have shown that in this size range nanodiamond has a fullerene-like surface and, unlike silicon and germanium, exhibit very weak quantum confinement effects. We called these carbon nanoparticles bucky-diamonds: their atomic structure, predicted by simulations, is consistent with many experimental findings. In addition, we carried out calculations of the stability of nanodiamond which provided a unifying explanation of its size distribution in extra-terrestrial samples, and in ultra-crystalline diamond films. Here we present a summary of our theoretical results and we briefly outline work in progress on doping of nanodiamond with nitrogen.
- Published through SciTech Connect.
Presented at: UltraNanoCrystalline Diamond Conference, St. Petersburg , Russia, Jun 05 - Jun 09, 2004.
Galli, G; Raty, J.
- Funding Information:
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