High reactivity of carbon nanotubes and fluorinated carbon nanotubes irradiated by Ar+ ions
作者： Yu. V. Fedoseeva , L. G. Bulusheva , A. V. Okotrub , D. V. Vyalikh , A. Fonseca
关键词: Physical chemistry 、 Inorganic chemistry 、 Carbon nanotube 、 XANES 、 Density functional theory 、 Vacancy defect 、 Selective chemistry of single-walled nanotubes 、 Carbon 、 Graphene 、 Ion beam 、 Materials science
摘要: Pristine and fluorinated single-wall carbon nanotubes (SWCNTs) irradiated by Ar+ ion beam with kinetic energy 1 keV have been studied using C K-edge X-ray absorption near-edge spectroscopy (XANES). Theoretical spectra used for interpretation of the experiment were plotted based on density functional theory (DFT) calculations graphene fragment contained different types defects (single-atom vacancy, adatom, oxygen or fluorine functionalized vacancy) within Z + 1 approximation. Comparison between experimental theoretical shows that irradiation creates vacancies boundary atoms readily interact yielding ether groups mainly.
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