Structural and electronic properties of armchair graphene nanoribbons functionalized with fluorine |
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| Affiliation: | 1. Indian Institute of Information Technology, Vadodara, India;2. 2-D Materials Research Laboratory, Discipline of Physics, PDPM-Indian Institute of Information Technology, Design & Manufacturing, Jabalpur, M.P. 482005, India;3. Nanomaterials Research Group, ABV-Indian Institute of Information Technology & Management, Gwalior, India |
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| Abstract: | ![]()
The interaction of armchair graphene nanoribbons (AGNR) with F has been investigated by considering it as a passivating element as well as adatom impurity. The adsorption of F at three different sites viz. bridge (B), top (T) and hole (H) is examined to determine the most stable configuration. It is revealed that F passivation is slightly more favorable than the H passivation of AGNR and it also affects the band gap. Interestingly, F adsorbed AGNR exhibit magnetic ground state which is about 70 meV more favourable over nonmagnetic state. Further, F passivated AGNR exhibit linear I-V characteristic which indicates potential for interconnect applications. |
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| Keywords: | Graphene nanoribbon Fluorine Adsorption Band structure Spin polarization |
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