Lattice dilation near a single hydrogen molecule in an interstitial channel within a nanotube bundle

M. Mercedes Calbi, Ari Mizel, Milton Walter Cole

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

We explore the ground state of a single hydrogen molecule within an interstitial channel (IC) of a bundle of carbon nanotubes. A previous (variational) study found that when many molecules are present, comprising a dense fluid, the nanotube lattice is slightly dilated, with a 1% relative increase of lattice constant. Although small, that dilation doubled the binding energy per molecule inside the IC's. Here, in the case of a single particle, the result is an even smaller dilation, localized near the particle, and a much smaller increase of the binding energy.

Original languageEnglish (US)
Article number195408
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume69
Issue number19
DOIs
StatePublished - May 1 2004

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Nanotubes
bundles
Hydrogen
nanotubes
interstitials
Binding energy
Molecules
hydrogen
binding energy
molecules
Carbon Nanotubes
Ground state
Lattice constants
Carbon nanotubes
carbon nanotubes
ground state
Fluids
fluids

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics

Cite this

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Lattice dilation near a single hydrogen molecule in an interstitial channel within a nanotube bundle. / Calbi, M. Mercedes; Mizel, Ari; Cole, Milton Walter.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 69, No. 19, 195408, 01.05.2004.

Research output: Contribution to journalArticle

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