多取代位氮掺杂石墨烯纳米带的表面合成

吉林大学陈龙团队开发了多取代位氮掺杂石墨烯纳米带的表面合成策略。相关研究成果发表在2022年4月22日出版的《德国应用化学》。

掺杂杂原子的石墨烯纳米带（GNRs）是未来器件应用中微调GNRs电子结构的主要策略。

该文中，研究人员成功地在Au（111）表面合成了N=9的氮掺杂扶手椅GNR。由于前体分子的灵活性，在GNR主链中形成了三种不同的共价键（C-C、C-N、N-N）。扫描隧道光谱分析和能带结构计算表明，与原始9-AGNRs相比，N-9-AGNRs（C-C）的带隙将增大，并且N-9-AGNRs（C-C）孤立位置的C-N键和N-N键将在费米能级附近引入新的缺陷态。DFT计算表明，N-9-AGNRs（C-C）的电子结构是半导体性质，而N-9-AGNRs（C-N）和N-9-AGNRs（N-N）是金属性质。

研究结果为创造更复杂的带隙可调分子异质结构提供了一条有希望的途径，这可能对未来的分子电子学和存储设备应用有用。

附：英文原文

Title: On-surface Synthesis of Nitrogen-doped Graphene Nanoribbon with Multiple Substitutional Sites

Author: Yong Zhang, Jianchen Lu, Yang Li, Baijin Li, Zilin Ruan, Hui Zhang, Zhenliang Hao, Shijie Sun, Wei Xiong, Lei Gao, Long Chen, Jinming Cai

Issue&Volume: 2022-04-22

Abstract: Doped graphene nanoribbons (GNRs) with heteroatoms are a principal strategy to fine-tune the electronic structures of GNRs for future device applications.  Here, we successfully synthesized N=9 nitrogen-doped armchair GNR on the Au(111) surface. Due to the flexibility of precursor molecules, three different covalent bonds (C-C, C-N, N-N) are formed in the GNR backbone.  Scanning tunneling spectroscopy analysis together with band structure calculations reveals that the bandgap of the N-9-AGNRs (C-C) will be enlarged compared to pristine 9-AGNRs, and the C-N bond and N-N bond at the isolated site of N-9-AGNR (C-C) will introduce new defect states near the Fermi level. DFT calculation shows that the electronic structure of N-9-AGNR (C-C) is semiconductor characters, while N-9-AGNR (C-N) and N-9-AGNR (N-N) are metallic characters. Our results provide a promising route for creating more complex molecular heterostructures with tunable bandgaps, which may be useful for future molecular electronics and memory device applications.

DOI: 10.1002/anie.202204736

Source: https://onlinelibrary.wiley.com/doi/10.1002/anie.202204736