The Interaction between Graphene and Oxygen Atom
Based on the density function theory (DFT) method, the interaction between the graphene and oxygen atom is simulated by the B3LYP functional with the 6-31G basis set. Due to the symmetry of graphene (C54H18, D6h), a representative patch is put forward to represent the whole graphene to simplify the...
| Κύριοι συγγραφείς: | , , , , , |
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| Μορφή: | Άρθρο |
| Γλώσσα: | English |
| Έκδοση: |
De Gruyter
2016-01-01
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| Σειρά: | Open Physics |
| Θέματα: | |
| Διαθέσιμο Online: | https://doi.org/10.1515/phys-2016-0075 |