Hindered rotation of H2 adsorbed interstitially in nanotube bundles

M. K. Kostov; H. Cheng; R. M. Herman; M. W. Cole; J. C. Lewis

doi:10.1063/1.1424290

Hindered rotation of H₂ adsorbed interstitially in nanotube bundles

M. K. Kostov, H. Cheng, R. M. Herman, M. W. Cole, J. C. Lewis

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Abstract

Two complementary models of the hindered rotation of interstitial H₂ in a nanotube bundle are presented. Both models employ traditional approximations concerning the force laws, supplemented by results of ab initio calculations of the electrostatic field. The models yield similar results, consistent with the experimental observation of a large rotational barrier.

Original language	English (US)
Pages (from-to)	1720-1724
Number of pages	5
Journal	Journal of Chemical Physics
Volume	116
Issue number	4
DOIs	https://doi.org/10.1063/1.1424290
State	Published - Jan 22 2002

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "Hindered rotation of H2 adsorbed interstitially in nanotube bundles",

abstract = "Two complementary models of the hindered rotation of interstitial H2 in a nanotube bundle are presented. Both models employ traditional approximations concerning the force laws, supplemented by results of ab initio calculations of the electrostatic field. The models yield similar results, consistent with the experimental observation of a large rotational barrier.",

author = "Kostov, {M. K.} and H. Cheng and Herman, {R. M.} and Cole, {M. W.} and Lewis, {J. C.}",

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AU - Kostov, M. K.

AU - Cheng, H.

AU - Herman, R. M.

AU - Cole, M. W.

AU - Lewis, J. C.

PY - 2002/1/22

Y1 - 2002/1/22

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AB - Two complementary models of the hindered rotation of interstitial H2 in a nanotube bundle are presented. Both models employ traditional approximations concerning the force laws, supplemented by results of ab initio calculations of the electrostatic field. The models yield similar results, consistent with the experimental observation of a large rotational barrier.

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Hindered rotation of H₂ adsorbed interstitially in nanotube bundles

Abstract

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