Brzhezinskaya, M.; Yalovega, G.; Shmatko, V.; Klyushin, A.; Bogoslavskaya, E.; Krestinin, A.; Bashkin, I.: Hydrogenated carbon nanotubes: x-ray absorption spectroscopy and ab initio simulation analysis. Journal of Physics: Conference Series 430 (2013), p. 012025
10.1088/1742-6596/430/1/012025
Open Access Version (externer Anbieter)
Abstract:
The paper presents the results of investigation of the chemical bond formation in hydrogenated single-walled carbon nanotubes using X-ray absorption spectroscopy. All measurements were performed with the use of synchrotron radiation at BESSY II. The C1s absorption spectra point to formation of covalent chemical bonding between the hydrogen and carbon atoms in H-SWNTs. The investigation of the H-SWNT local structure has been carried out on the basis of the semi-empirical PM6 method (MOPAC 2009) and Finite Difference method. The possibility of H-SWNTs dehydrogenation was also investigated.