We present a theoretical study on the formation of graphene nanoribbons-via polymerization of coronene molecules-inside the inner cavity of boron nitride nanotubes. We examine the electronic property of the hybrid system, and we show that the boron nitride nanotube does not significantly alter the electronic properties of the encapsulated graphene nanoribbon. Motivated by previous experimental works, we examine graphene nanoribbons with two different widths and investigate probable scenarios for defect formation and/or twisting of the resulting graphene nanoribbons and their effect on the electronic properties of the hybrid system.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644651 | PMC |
| http://dx.doi.org/10.1021/acsomega.8b01617 | DOI Listing |
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