Permeation of low-Z atoms through carbon sheets: Density functional theory study on energy barriers and deformation effects
Energetic and geometric aspects of the permeation of the atoms hydrogen to neon neutral atoms through graphene sheets are investigated by investigating the associated energy barriers and sheet deformations. Density functional theory calculations on cluster models, where graphene is modeled by planar...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2013-12-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4842495 |