Study of H2 physical adsorption in single-walled carbon nanotube array
The potential energies of a single H2 inside and outside an armchair single-walled carbon nanotube (SWCNT) are calculated by the electronic density functional theory (DFT), and influences of the SWCNT tube diameter on the potential energy minimum and equilibrium position are studied. Hydrogen storag...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2013-08-01
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| Series: | AIP Advances |
| Online Access: | http://link.aip.org/link/doi/10.1063/1.4819405 |