Carbon Nanotubes Immersed in Superfluid Helium: The Impact of Quantum Confinement on Wetting and Capillary Action

Andreas Hauser, María Pilar De Lara-Castells

Publikation: Beitrag in einer FachzeitschriftArtikelForschungBegutachtung

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.
Originalspracheenglisch
Seiten (von - bis)4929-4935
Seitenumfang7
FachzeitschriftThe journal of physical chemistry letters
Jahrgang7
Ausgabenummer23
DOIs
PublikationsstatusVeröffentlicht - 1 Dez 2016

Fingerprint

Superfluid helium
Helium
Carbon Nanotubes
Quantum confinement
wetting
Wetting
Carbon nanotubes
helium
carbon nanotubes
Density functional theory
density functional theory
adsorption
zero point energy
helium atoms
Gas adsorption
Single-walled carbon nanotubes (SWCN)
nanotubes
tendencies
Nanotubes
perturbation theory

ASJC Scopus subject areas

  • !!Materials Science(all)

Fields of Expertise

  • Advanced Materials Science

Dies zitieren

Carbon Nanotubes Immersed in Superfluid Helium : The Impact of Quantum Confinement on Wetting and Capillary Action. / Hauser, Andreas; De Lara-Castells, María Pilar.

in: The journal of physical chemistry letters , Jahrgang 7, Nr. 23, 01.12.2016, S. 4929-4935.

Publikation: Beitrag in einer FachzeitschriftArtikelForschungBegutachtung

@article{3932c31d26ee48b6bebfe3581a7e43f2,
title = "Carbon Nanotubes Immersed in Superfluid Helium: The Impact of Quantum Confinement on Wetting and Capillary Action",
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 {\AA} 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.",
author = "Andreas Hauser and {De Lara-Castells}, {Mar{\'i}a Pilar}",
year = "2016",
month = "12",
day = "1",
doi = "10.1021/acs.jpclett.6b02414",
language = "English",
volume = "7",
pages = "4929--4935",
journal = "The journal of physical chemistry letters",
issn = "1948-7185",
publisher = "American Chemical Society",
number = "23",

}

TY - JOUR

T1 - Carbon Nanotubes Immersed in Superfluid Helium

T2 - The Impact of Quantum Confinement on Wetting and Capillary Action

AU - Hauser, Andreas

AU - De Lara-Castells, María Pilar

PY - 2016/12/1

Y1 - 2016/12/1

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85000933278&partnerID=8YFLogxK

U2 - 10.1021/acs.jpclett.6b02414

DO - 10.1021/acs.jpclett.6b02414

M3 - Article

VL - 7

SP - 4929

EP - 4935

JO - The journal of physical chemistry letters

JF - The journal of physical chemistry letters

SN - 1948-7185

IS - 23

ER -