Special structures and properties of hydrogen nanowire confined in a single walled carbon nanotube at extreme high pressure
Extensive ab initio molecular dynamics simulations indicate that hydrogen can be confined in single walled carbon nanotubes to form high density and high pressure H2 molecular lattice, which has peculiar shell and axial structures depending on the density or pressure. The band gap of the confined H2...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2012-06-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4732145 |