Ab initio study of graphene interaction with O2, O and O-
A systematic ab initio (DFT-GGA) study of adsorption of various oxygen species on graphene has been performed in order to find out general trends and provide a good starting point to analyze the oxidation of more complex carbon materials. Particular attention was paid to finding an appropriate super...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Society of Chemists and Technologists of Macedonia
2016-12-01
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| Series: | Macedonian Journal of Chemistry and Chemical Engineering |
| Subjects: | |
| Online Access: | https://mjcce.org.mk/index.php/MJCCE/article/view/1038 |