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- URN zum Zitieren dieses Dokuments:
- urn:nbn:de:bvb:355-epub-349006
- DOI zum Zitieren dieses Dokuments:
- 10.5283/epub.34900
Alternative Links zum Volltext:DOI
Zusammenfassung
We present first-principles calculations of the electronic band structure and spin-orbit effects in graphene functionalized with methyl molecules in dense and dilute limits. The dense limit is represented by a 2 x 2 graphene supercell functionalized with one methyl admolecule. The calculated spin-orbit splittings are up to 0.6 meV. The dilute limit is deduced by investigating a large, 7 x 7, ...
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