A modular synthetic approach for band-gap engineering of armchair graphene nanoribbons

Gang Li, Ki-Young Yoon, Xinjue Zhong, Jianchun Wang, Rui Zhang, Jeffrey R. Guest, Jianguo Wen, X.-Y. Zhu () and Guangbin Dong ()
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Gang Li: University of Chicago
Ki-Young Yoon: University of Chicago
Xinjue Zhong: Columbia University
Jianchun Wang: University of Chicago
Rui Zhang: Argonne National Laboratory
Jeffrey R. Guest: Argonne National Laboratory
Jianguo Wen: Argonne National Laboratory
X.-Y. Zhu: Columbia University
Guangbin Dong: University of Chicago

Nature Communications, 2018, vol. 9, issue 1, 1-9

Abstract: Abstract Despite the great promise of armchair graphene nanoribbons (aGNRs) as high-performance semiconductors, practical band-gap engineering of aGNRs remains an unmet challenge. Given that width and edge structures are the two key factors for modulating band-gaps of aGNRs, a reliable synthetic method that allows control of both factors would be highly desirable. Here we report a simple modular strategy for efficient preparation of N = 6 aGNR, the narrowest member in the N = 3p (p: natural number) aGNR family, and two unsymmetrically edge-functionalized GNRs that contain benzothiadiazole and benzotriazole moieties. The trend of band-gap transitions among these GNRs parallels those in donor–acceptor alternating conjugated polymers. In addition, post-functionalization of the unsymmetrical heterocyclic edge via C–H borylation permits further band-gap tuning. Therefore, this method opens the door for convenient band-gap engineering of aGNRs through modifying the heteroarenes on the edge.

Date: 2018
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DOI: 10.1038/s41467-018-03747-2

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