Fe Atom—Mixed Edges Fractal Graphene via DFT Calculation
The stability of small fractal graphene models with two different symmetries and Fe atoms at their mixed edges is addressed by density functional theory (DFT) calculations. Four kinds of edge configurations and Fe atom localizations are determined depending on the model. The edges have mixed configu...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-10-01
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| Series: | ChemEngineering |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2305-7084/6/5/79 |