| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7958901 | Computational Materials Science | 2016 | 6 Pages |
Abstract
Three possible structures for the Fe-doped b-trivacancy in graphene are identified, where Fe locates at different sites in the trivacancy. The adsorption of Fe on the trivacancy opens an energy gap in graphene, with the value of 0.1 eV, 0.25 eV, and 0.4 eV for the three possible structures, respectively. The structure with gap of 0.4 eV exhibits no magnetism, while the other two structures possess a magnetic moment of 2.0 μB.78
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Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
Xielong Hu, Fanyan Meng,