Structural Dynamics in the Presence of Water of Graphene Bilayers with Defects
The dynamics of a bilayer of graphene containing one mono-vacancy in the top layer has been investigated in the framework of DFTB in the absence and in the presence of water. Due to the speed of the code, we can describe details of the behavior, which are not directly accessible experimentally and c...
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-07-01
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| Series: | Nanomaterials |
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| Online Access: | https://www.mdpi.com/2079-4991/13/14/2038 |