Pereira Júnior Marcelo Lopes, de Oliveira Neto Pedro Henrique, da Silva Filho Demétrio Antônio, de Sousa Leonardo Evaristo, E Silva Geraldo Magela, Ribeiro Júnior Luiz Antônio
Institute of Physics, University of Brasília, Brasília, 70919-970, Brazil.
Theoretical and Structural Chemistry Group, State University of Goiás, Anapolis, Goiás, 75.132-903, Brazil.
Sci Rep. 2021 Mar 4;11(1):5142. doi: 10.1038/s41598-021-84626-7.
Graphene nanoribbons (GNRs) are promising quasi-one-dimensional materials with various technological applications. Recently, methods that allowed for the control of GNR's topology have been developed, resulting in connected nanoribbons composed of two distinct armchair GNR families. Here, we employed an extended version of the Su-Schrieffer-Heeger model to study the morphological and electronic properties of these novel GNRs. Results demonstrated that charge injection leads to the formation of polarons that localize strictly in the 9-AGNRs segments of the system. Its mobility is highly impaired by the system's topology. The polaron displaces through hopping between 9-AGNR portions of the system, suggesting this mechanism for charge transport in this material.
石墨烯纳米带（GNRs）是具有多种技术应用前景的准一维材料。最近，已经开发出了能够控制GNR拓扑结构的方法，从而得到了由两个不同的扶手椅型GNR家族组成的连接纳米带。在此，我们采用扩展版的Su-Schrieffer-Heeger模型来研究这些新型GNR的形态和电子性质。结果表明，电荷注入导致极化子形成，这些极化子严格定域在系统的9-AGNRs段。其迁移率受到系统拓扑结构的严重影响。极化子通过在系统的9-AGNR部分之间跳跃来移动，这表明了这种材料中电荷传输的机制。
