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Topology and Electronic Structure of Onion-Like Carbon and Graphite/Diamond Nanocomposites

  • Lyubov G. Bulusheva (a1), Alexander V. Okotrub (a1), Vladimir L. Kuznetsov (a2), Andrew L. Chuvilin (a2), Yuriy V. Butenko (a2) and Malcolm I. Heggie (a3)...

Abstract

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 temperatures. To interpret experimental spectra, the quantum-chemical semiempirical AM1 calculation of icosahedral C540 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.

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Topology and Electronic Structure of Onion-Like Carbon and Graphite/Diamond Nanocomposites

  • Lyubov G. Bulusheva (a1), Alexander V. Okotrub (a1), Vladimir L. Kuznetsov (a2), Andrew L. Chuvilin (a2), Yuriy V. Butenko (a2) and Malcolm I. Heggie (a3)...

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