石墨烯
带隙
密度泛函理论
材料科学
丝带
拉曼光谱
小海湾
聚合
单体
傅里叶变换红外光谱
聚合物
电子结构
石墨烯纳米带
高分子化学
纳米技术
计算化学
化学
光电子学
复合材料
光学
物理
地貌学
地质学
作者
Lin Yang,Ji Ma,Wenhao Zheng,Silvio Osella,Jörn Droste,Hartmut Komber,Kun Liu,Steffen Böckmann,David Beljonne,Michael Ryan Hansen,Mischa Bonn,Hai I. Wang,Junzhi Liu,Xinliang Feng
标识
DOI:10.1002/advs.202200708
摘要
Curved graphene nanoribbons (GNRs) with hybrid edge structures have recently attracted increasing attention due to their unique band structures and electronic properties as a result of their nonplanar conformation. This work reports the solution synthesis of a long and curved multi-edged GNR (cMGNR) with unprecedented cove-armchair-gulf edge structures. The synthesis involves an efficient A2 B2 -type Diels-Alder polymerization between a diethynyl-substituted prefused bichrysene monomer (3b) and a dicyclopenta[e,l]pyrene-5,11-dione derivative (6) followed by FeCl3 -mediated Scholl oxidative cyclodehydrogenation of the obtained polyarylenes (P1). Model compounds 1a and 1b are first synthesized to examine the suitability and efficiency of the corresponding polymers for the Scholl reaction. The successful formation of cMGNR from polymer P1 bearing prefused bichrysene units is confirmed by FTIR, Raman, and solid-state NMR analyses. The cove-edge structure of the cMGNR imparts the ribbon with a unique nonplanar conformation as revealed by density functional theory (DFT) simulation, which effectively enhances its dispersibility in solution. The cMGNR has a narrow optical bandgap of 1.61 eV, as estimated from the UV-vis absorption spectrum, which is among the family of low-bandgap solution-synthesized GNRs. Moreover, the cMGNR exhibits a carrier mobility of ≈2 cm2 V-1 s-1 inferred from contact-free terahertz spectroscopy.
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