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Heggie, M I; Ewels, C P; Telling, R H; El-Barbary, A A; Briddon, P R (2003)
Publisher: American Physical Society
Languages: English
Types: Article
Subjects:
The atomic processes associated with energy storage and release in irradiated graphite have long been subject to untested speculation. We examine structures and recombination routes for interstitial-vacancy (I-V) pairs in graphite. Interaction results in the formation of a new metastable defect (an intimate I-V pair) or a Stone-Wales defect. The intimate I-V pair, although 2.9 eV more stable than its isolated constituents, still has a formation energy of 10.8 eV. The barrier to recombination to perfect graphite is calculated to be 1.3 eV, consistent with the experimental first Wigner energy release peak at 1.38 eV. We expect similar defects to form in carbon nanostructures such as nanotubes, nested fullerenes, and onions under irradiation.
  • The results below are discovered through our pilot algorithms. Let us know how we are doing!

    • 0.529 1.058 1.588 Distance moved by interstitial (angstroms) 2.117 *Current address: DMSC, ONERA, 29 Av de la Division Leclerc, 92322 Chatillon, France. Electronic address:
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