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On‐Surface Synthesis of NBN‐Doped Zigzag‐Edged Graphene Nanoribbons

Yubin Fu, Huan Yang, Yixuan Gao, Li Huang, Reinhard Berger, Junzhi Liu, Hongliang Lu, Zhihai Cheng, Shixuan Du, Hong‐Jun Gao, Xinliang Feng

2020Angewandte Chemie International Edition91 citationsDOIOpen Access PDF

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.

Topics & Concepts

ZigzagGraphene nanoribbonsMaterials scienceScanning tunneling microscopeDensity functional theoryGapless playbackScanning tunneling spectroscopyDopingNanotechnologyElectronic structureGrapheneCondensed matter physicsOptoelectronicsComputational chemistryChemistryGeometryPhysicsMathematicsGraphene research and applicationsMolecular Junctions and NanostructuresSurface Chemistry and Catalysis