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锯齿形和扶手椅形边缘的碳材料。

Carbon Materials with Zigzag and Armchair Edges.

机构信息

Department of Applied Chemistry and Biotechnology, Graduate School of Engineering , Chiba University , 1-33 Yayoi , Inage, Chiba 263-8522 , Japan.

Department of Chemistry, Graduate School of Science , Kyoto University , Kitashirakawa Oiwakecho, Sakyo, Kyoto 606-8502 , Japan.

出版信息

ACS Appl Mater Interfaces. 2018 Nov 28;10(47):40710-40739. doi: 10.1021/acsami.8b11022. Epub 2018 Nov 13.

Abstract

Carbon materials such as graphene and graphene nanoribbon with zigzag and armchair edges have attracted much attention because of various applications such as electronics, batteries, adsorbents, and catalyst supports. Preparation of carbon materials with different edge structures at a large scale is essential for the future of carbon materials, but it is generally difficult and expensive because of the necessity of organic synthesis on metal substrates. This work demonstrated a simple preparation method of carbon materials with zigzag and armchair edges with/without nonmetallic silica supports from aromatic compounds such as tetracene with zigzag edges and chrysene with armchair edges and also determined the edge structures in detail by three types of analyses such as (1) reactive molecular dynamic simulation with a reactive force field, (2) Raman and infrared (IR) spectra combined with calculation of spectra, and (3) reactivity analyzed by oxidative gasification using thermogravimetric analysis. Two different types of carbon materials with characteristic Raman and IR spectra could be prepared. These carbon materials with different edge structures also clearly showed different tendency in oxidative gasification. This work did not only show the simple preparation method of carbon materials with different edge structures, but also contributes to the development of detailed analyses for carbon materials.

摘要

碳材料,如具有锯齿和扶手椅边缘的石墨烯和石墨烯纳米带,由于在电子、电池、吸附剂和催化剂载体等方面的各种应用而受到广泛关注。大规模制备具有不同边缘结构的碳材料对于碳材料的未来至关重要,但由于需要在金属衬底上进行有机合成,因此通常较为困难且昂贵。这项工作展示了一种从具有锯齿边缘的四并苯和具有扶手椅边缘的苝等芳族化合物出发,在有无非金属二氧化硅载体的情况下,制备具有锯齿和扶手椅边缘的碳材料的简单方法,并通过(1)具有反应力场的反应分子动力学模拟、(2)拉曼和红外(IR)光谱结合光谱计算以及(3)使用热重分析进行氧化气化的反应性分析等三种类型的分析,详细确定了边缘结构。可以制备出两种具有特征拉曼和 IR 光谱的不同类型的碳材料。这些具有不同边缘结构的碳材料在氧化气化过程中也表现出明显不同的趋势。这项工作不仅展示了制备具有不同边缘结构的碳材料的简单方法,而且还为碳材料的详细分析做出了贡献。

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