Lara-Castells.20168ni

Andreas W. Hauser, María Pilar de Lara-Castells. Carbon Nanotubes Immersed in Superfluid Helium: The Impact of Quantum Confinement on Wetting and Capillary Action. The Journal of Physical Chemistry Letters, 7(23):4929-4935, 2016.

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Abstract

{A recent experimental study Ohba, Sci. Rep. 2016, 6, 28992 of gas adsorption on single-walled carbon nanotubes at temperatures between 2 and 5 K reported a quenched propagation of helium through carbon nanotubes with diameters below 7 Å despite the small kinetic diameter of helium atoms. After assessing the performance of a potential model for the He–nanotube interaction via ab initio calculations with density functional theory-based symmetry adapted perturbation theory, we apply orbital-free helium density functional theory to show that the counterintuitive experimental result is a consequence of the exceptionally high zero-point energy of helium and its tendency to form spatially separated layers of helium upon adsorption at the lowest temperatures. Helium filling factors are derived for a series of carbon nanotubes and compared to the available experimental data.}

Keywords

[ He-dft ] [ Nanotubes ] [ Superfluid ]

BibTex Reference

@article{Lara-Castells.20168ni,
   Author = {Hauser, Andreas W. and Lara-Castells, María Pilar de},
   Title = {{Carbon Nanotubes Immersed in Superfluid Helium: The Impact of Quantum Confinement on Wetting and Capillary Action}},
   Journal = {The Journal of Physical Chemistry Letters},
   Volume = {7},
   Number = {23},
   Pages = {4929--4935},
   Year = {2016}
}

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