@inproceedings{eeb1240286e24bc58bc0d33c0575e090,
title = "Hydrogen insertion and extraction mechanism in single-walled carbon nanotubes",
abstract = "Hydrogen insertion and extraction mechanisms in single-walled carbon nanotubes are studied using density-functional calculations. Hydrogen atoms first adsorb on the tube wall in an arch type and zigzag type upto coverage of 1.0. Hydrogen atoms can be inserted into the tube through the tube wall via flip-in and kick-in mechanism and are stored as a form of H2 molecule at higher coverage. In the extraction process, H2 molecule in the capillary first dissociates and adsorbs onto the inner wall, and is extracted to the outer wall by flip-out mechanism. Both the insertion and extraction processes require activation energy less than 2.0 eV.",
author = "Lee, \{Seung Mi\} and Lee, \{Young Hee\} and Gotthard Seifert and Thomas Frauenheim",
note = "Publisher Copyright: {\textcopyright} 2001 American Institute of Physics.; International Symposium on Nanonetwork Materials: Fullerenes, Nanotubes, and Related Systems 2001 ; Conference date: 15-01-2001 Through 18-01-2001",
year = "2001",
month = oct,
day = "16",
doi = "10.1063/1.1420068",
language = "English",
series = "AIP Conference Proceedings",
publisher = "American Institute of Physics Inc.",
pages = "117--120",
editor = "Tsuneya Ando and Yoshihiro Iwasawa and Koichi Kikuchi and Yahachi Saito and Susumu Saito and Mototada Kobayashi",
booktitle = "Nanonetwork Materials",
}