On‐Surface Synthesis of NBN‐Doped Zigzag‐Edged Graphene Nanoribbons. Issue 23 (25th March 2020)

• Record Type: Journal Article
• Authors: Fu, Yubin; Yang, Huan; Gao, Yixuan; Huang, Li; Berger, Reinhard; Liu, Junzhi; Lu, Hongliang; Cheng, Zhihai; Du, Shixuan; Gao, Hong‐Jun; Feng, Xinliang
• Is Part Of: Angewandte Chemie international edition. Volume 59:Issue 23(2020)
• Page Start: 8873
• Page End: 8879
• Publication Date: 2020-03-25
• Subjects: graphene nanoribbons -- NBN doping -- on-surface synthesis -- radical cations -- zigzag edges; Chemistry -- Periodicals; 540
• DOI: 10.1002/anie.202000488
• Languages: English
• ISSNs: 1433-7851

Abstract

Abstract: We report the first bottom‐up synthesis of NBN‐doped zigzag‐edged GNRs (NBN‐ZGNR1 and NBN‐ZGNR2) through surface‐assisted polymerization and cyclodehydrogenation based on two U‐shaped molecular precursors with an NBN unit preinstalled at the zigzag edge. The resultant zigzag‐edge topologies of GNRs are elucidated by high‐resolution scanning tunneling microscopy (STM) in combination with noncontact atomic force microscopy (nc‐AFM). Scanning tunneling spectroscopy (STS) measurements and density functional theory (DFT) calculations reveal that the electronic structures of NBN‐ZGNR1 and NBN‐ZGNR2 are significantly different from those of their corresponding pristine fully‐carbon‐based ZGNRs. Additionally, DFT calculations predict that the electronic structures of NBN‐ZGNRs can be further tailored to be gapless and metallic through one‐electron oxidation of each NBN unit into the corresponding radical cations. This work reported herein provides a feasible strategy for the synthesis of GNRs with stable zigzag edges yet tunable electronic properties. Abstract : Close to the edge : Two novel NBN‐doped zigzag‐edged graphene nanoribbons (ZGNRs) are derived through surface‐assisted synthesis. Experiments and calculations reveal the importance of the NBN units in modulating the electronic structures of the ZGNRs. Moreover, theoretical calculations predict that the electronic structures of NBN‐ZGNRs can be further tailored through one‐electron oxidation of each NBN unit into the corresponding radical cations.