Abstract
We present recent density-functional based investigations on functionalization of carbon nanotubes (CNT’s). Potential problems and applications that will be addressed include: (i) Chemical force imaging by interaction of open-end functionalized CNT’s with self-assembled monolayers; (ii) Tailoring of intrinsic electronic properties for nanoscale electronics by side-wall functionalization of CNT’s with fluorine; and (iii) Electrochemically based mechanisms for hydrogen storage.
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Frauenheim, T., Seifert, G., Koehler, T., Elstner, M., Lee, S.M., Lee, Y.H. (2001). A Theoretical Approach to Functionalization of Carbon Nanotubes. In: Benedek, G., Milani, P., Ralchenko, V.G. (eds) Nanostructured Carbon for Advanced Applications. NATO Science Series, vol 24. Springer, Dordrecht. https://doi.org/10.1007/978-94-010-0858-7_18
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DOI: https://doi.org/10.1007/978-94-010-0858-7_18
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