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Topology and electronic structure of onion-like carbon and graphite/diamond nanocomposites

Bulusheva, LG, Okotrub, AV, Kuznetsov, VL, Chuvilin, AL, Butenko, YV and Heggie, MI (2002) Topology and electronic structure of onion-like carbon and graphite/diamond nanocomposites Materials Research Society Symposium - Proceedings, 703. pp. 381-386.

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Annealing of nanodiamond at moderate temperature makes it possible to produce structures being intermediate in the carbon transformation from sp3 - to sp2-state (graphite/diamond nanocomposites) and onion-like carbon (OLC). Electron microscopy shows such structures involve cage shells with spacing close to graphite. X-ray emission spectroscopy has been applied to examine the electronic structure of OLC and graphite/diamond nanocomposites. The CKα-spectra of OLC produced in the temperature range of 1600-1900 K were found to be markedly different from the spectrum of particles formed at 2140 K and characterized by better ordering of graphitic shells. The latter spectrum was shown to be very Similar to the CKα- spectrum of polycrystalline graphite, while the former ones exhibited a significant increase of high-energy maximum that might be caused by the holed defect structure of graphitic networks forming at the intermediate annealing temperature. To interpret experimental spectra, the quantum-chemical semiempirical AM1 calculation of icosahedral C%40 cage and that with holed defects was carried out. The lack of at least 22% atoms in an internal carbon cage was found to be essential to provide an increase of density of high-energy electronic states similar to that observed in the spectrum of OLC produced at 1900 K.

Item Type: Article
Divisions : Surrey research (other units)
Authors :
Bulusheva, LG
Okotrub, AV
Kuznetsov, VL
Chuvilin, AL
Butenko, YV
Date : 1 January 2002
Depositing User : Symplectic Elements
Date Deposited : 17 May 2017 12:42
Last Modified : 24 Jan 2020 22:43

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