Theoretical study of adsorption of lithium atom on carbon nanotube

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Masato Senami; Yuji Ikeda; Akinori Fukushima; Akitomo Tachibana;
  • Publisher: American Institute of Physics
  • Journal: AIP Advances,volume 1,issue 4 (issn: 2158-3226)
  • Publisher copyright policies & self-archiving
  • Related identifiers: doi: 10.1063/1.3651182
  • Subject: surface states | adsorption | lithium | ab initio calculations | atom-surface impact | carbon nanotubes | charge exchange | chemical potential | Physics | QC1-999
    arxiv: Physics::Atomic Physics | Condensed Matter::Materials Science | Physics::Atomic and Molecular Clusters | Condensed Matter::Quantum Gases | Astrophysics::Solar and Stellar Astrophysics

We investigate the adsorption of lithium atoms on the surface of the (12, 0) single wall carbon nanotube (SWCNT) by using ab initio quantum chemical calculations. The adsorption of one lithium atom on the inside of this SWCNT is favored compared to the outside. We check... View more
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