کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1593331 | 1002696 | 2012 | 4 صفحه PDF | دانلود رایگان |

The electronic properties of graphene nanoribbons (GNRs) with heteroatom (boron or nitrogen) substitutional doping at different sites are investigated by performing first-principles calculations based on density functional theory. The calculated results show that boron substitutional doping changes the conducting characteristics of GNRs to half-metallic. In contrast, nitrogen substitutional doping results in retention of the half-metallic characteristics of GNRs. It is predicted that the theoretical results may be valuable to the design of GNR-based spintronics devices.
► Boron dopant changes the conducting characteristics of graphene nanoribbons to half-metallic.
► Nitrogen dopant results in retention of the half-metallic characteristics of graphene nanoribbons.
► Heteroatom-doped graphene nanoribbons may be valuable for the design of spintronic devices.
Journal: Solid State Communications - Volume 152, Issue 2, January 2012, Pages 64–67