Hydrogen adsorption storage on single-walled carbon nanotube arrays by a combination of classical potential and density functional theory

X Zhang, D Cao, J Chen - The Journal of Physical Chemistry B, 2003 - ACS Publications
The adsorptions of hydrogen both on square-packed single-walled carbon nanotube
(SWCNT) arrays and on isolated nanotubes were investigated by a combination of a …

Quantum states of hydrogen and its isotopes confined in single-walled carbon nanotubes: dependence on interaction potential and extreme two-dimensional …

T Lu, EM Goldfield, SK Gray - The Journal of Physical Chemistry B, 2006 - ACS Publications
Quantum mechanical energy levels are computed for the hydrogen molecule and its
homonuclear isotopes confined within carbon nanotubes of various sizes and structures …

Vibrational properties and diffusion of hydrogen on graphene

CP Herrero, R Ramírez - Physical Review B—Condensed Matter and Materials …, 2009 - APS
Hydrogen and deuterium chemisorption on a single layer of graphene has been studied by
path-integral molecular-dynamics simulations. Finite-temperature properties of these point …

Single-walled carbon nanotubes: efficient nanomaterials for separation and on-board vehicle storage of hydrogen and methane mixture at room temperature?

P Kowalczyk, L Brualla, A Żywociński… - The Journal of Physical …, 2007 - ACS Publications
We investigate possible usage of single-walled carbon nanotubes (SWNTs) as an efficient
storage and separation device of hydrogen− methane mixtures at room temperature. The …

Quantum sieving in single-walled carbon nanotubes: Effect of interaction potential and rotational− translational coupling

G Garberoglio, MM DeKlavon… - The Journal of Physical …, 2006 - ACS Publications
The selective adsorption of heavy isotopes in narrow nanotubes, known as quantum sieving,
is studied using a simple approximate theory for several different potential models. We …

Quantum Sieving Effect of Modified Activated Carbon Fibers on H2 and D2 Adsorption at 20 K

Y Hattori, H Tanaka, F Okino, H Touhara… - The Journal of …, 2006 - ACS Publications
Quantum sieving of activated carbon fibers (ACFs) and their fluorides was observed for H2
and D2 adsorption at 20 K. Fluorination reduced the slit-shaped pore width of ACFs by 0.2 …

Isotopic and spin selectivity of adsorbed in bundles of carbon nanotubes

RA Trasca, MK Kostov, MW Cole - Physical Review B, 2003 - APS
Due to its large surface area and strongly attractive potential, a bundle of carbon nanotubes
is an ideal substrate material for gas storage. In addition, adsorption in nanotubes can be …

Dimensional crossover and quantum effects of gases adsorbed on nanotube bundles

MM Calbi, MW Cole - Physical Review B, 2002 - APS
Adsorption properties of several gases (Ne, CH 4, Ar, and Xe) on the external surface of a
carbon nanotube bundle are investigated. Calculations are performed at low coverage and …

Quantum states of molecular hydrogen and its isotopes in single-walled carbon nanotubes

T Lu, EM Goldfield, SK Gray - The Journal of Physical Chemistry B, 2003 - ACS Publications
Quantum mechanical energy levels are computed for the hydrogen molecule and its
homonuclear isotopes confined within nanotubes of various sizes and structures. A realistic …

Helium adsorbed on carbon nanotube bundles: one-dimensional and/or two-dimensional solids?

T Wilson, OE Vilches - Физика низких температур, 2003 - dspace.nbuv.gov.ua
Heat capacity measurements of ⁴He adsorbed on closed-end single-wall carbon nanotube
bundles in the temperature range 1.5 K< T< 6 K are reported. Heats of adsorption Qst …