2006/11/08 by X. H. Zhang, Xiaohua Zhang, Zhang, X. H. +4
Chemistry · Materials Science · Physics and Astronomy · #Advanced Physical and Chemical Molecular Interactions #Carbon Nanotubes in Composites #Chemical and Physical Properties of Materials #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.cond-mat/0611205
6 pages. In the latest version, only the file type for the figure is changed
openalex publication_date 2006/11/08 · arxiv created 2007/07/09 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
By using a newly fitted multi-parameter potential to describe the van der Waals interaction between carbon and molecular hydrogen, we study the hydrogen storage inside carbon nanotubes (CNT's) under pressure in gigapascal range. Comparing with the results of graphite, we find that the shape change of the nanotubes (the curvature effect) provides a different storage mechanism for hydrogen. The negative free energy change for hydrogen storage inside CNT's makes it possible to use CNT's as the nanocontainer [Carbon 45, 315 (2007)].