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This article is cited in 4 scientific papers (total in 4 papers)
Graphenes
The structure and dynamics of the chains of hydrogen bonds of hydrogen fluoride molecules inside carbon nanotubes
A. V. Savina, O. I. Savinab a Semenov Federal Research Center of Chemical Physics, Russian Academy of Sciences, Moscow, 119991, Russia
b Plekhanov Russian State University of Economics, Moscow
Abstract:
It is shown by molecular dynamics that hydrogen fluoride molecules inside single-wall carbon nanotubes with a diameter $D<$ 0.85 nm form flat zigzag chains of F–H $\cdots$ F–H $\cdots$ F–H$\cdots$ hydrogen bonds. The chains that are the closest to the chain of hydrogen bonds of OH hydroxyl groups in structure form hydrogen fluoride molecules inside nanotubes with the chirality indices (6, 6) and (10, 0). In such open nanotubes with narrowed down ends, the chains of (FH)$_N$ hydrogen bonds may fully fill in their internal cavity, thus forming a structure resistant to thermal vibrations in a wide range of temperatures. Stationary orientational defects localized on three to four chain units which divide the parts of the chain with the opposite orientations of the FH molecules can exist in the chains. (FH)$_N$ $\in$ CNT (6, 6) and (FH)$_{N}$ $\in$ CNT (10, 0) molecular complexes can act as proton-conducting “nanowires”, in which the external nanotube acts as the winding (insulation) which protects and stabilizes the internal proton-conducting chain of (FH)$_N$.
Keywords:
nanotubes, chains of hydrogen bonds, hydrogen fluoride, proton transport.
Received: 03.04.2020 Revised: 03.04.2020 Accepted: 25.06.2020
Citation:
A. V. Savin, O. I. Savina, “The structure and dynamics of the chains of hydrogen bonds of hydrogen fluoride molecules inside carbon nanotubes”, Fizika Tverdogo Tela, 62:11 (2020), 1968–1974; Phys. Solid State, 62:11 (2020), 2217–2223
Linking options:
https://www.mathnet.ru/eng/ftt8270 https://www.mathnet.ru/eng/ftt/v62/i11/p1968
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