Chalcogen Atom-Doped Graphene and Its Performance in N<sub>2</sub> Activation
In this work, we studied dispersion correction, adsorption and substitution of chalcogen dopants (O, S, Se and Te) on the surface of graphene using density functional theory. The results reveal that a single oxygen atom is more preferred for adsorption onto the graphene surface than the other dopant...
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-04-01
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| Series: | Surfaces |
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| Online Access: | https://www.mdpi.com/2571-9637/5/2/16 |