| Autor: |
Gromov, S V, Burmistrov, I N, Ilinykh, I A, Kuznetsov, D V |
| Zdroj: |
IOP Conference Series: Materials Science and Engineering; January 2016, Vol. 112 Issue: 1 p012006-012006, 1p |
| Abstrakt: |
The hydrogen adsorption properties and surface charge distribution of single-walled carbon nanotubes (SWCNTs) with chirality parameters of (5, 5), (9, 5), (9, 9) were investigated using molecular dynamics methods. Relation between maximum hydrogen uptake and SWCNT structural properties was investigated. It was shown that surface charge distribution of chiral nanotubes could not be compensated for the same amount of steps that leads to fully neutral CNT with armchair structure. |
| Databáze: |
Supplemental Index |
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