论文标题
石墨烯纳米容器中“咬合”缺陷的量子电子传输
Quantum Electronic Transport Across "Bite" Defects in Graphene Nanoribbons
论文作者
论文摘要
地表合成最近已成为一种有效的途径,可以在原子质上精确地制造受控拓扑和宽度的石墨烯纳米容器。但是,对于预期应用而言,是否及其在哪种程度结构性障碍中发生是至关重要的问题。在这里,我们在实验上识别边缘缺失的苯环,我们将其称为“咬合”缺陷,是由自下而上方法合成的扶手椅纳米式纳米式纳米式疾病中最丰富的疾病类型。首先,我们根据扫描隧道显微镜来解决它们的密度和空间分布,并发现它们表现出强烈的聚集趋势。接下来,我们探讨了它们对第一原理计算的量子电荷传输的影响,表明这种缺陷会大大破坏了带边缘的传导特性。最后,我们以系统的方式将理论发现概括为更广泛的纳米管,从而确立实用的准则,以最大程度地减少此类缺陷在电荷运输中的有害作用。总体而言,我们的作品描绘了自下而上扶手椅纳米纤维中“咬伤”缺陷的详细图片,并评估了它们对基于碳的纳米电子设备性能的影响。
On-surface synthesis has recently emerged as an effective route towards the atomically precise fabrication of graphene nanoribbons of controlled topologies and widths. However, whether and to which degree structural disorder occurs in the resulting samples is a crucial issue for prospective applications that remains to be explored. Here, we experimentally identify missing benzene rings at the edges, which we name "bite" defects, as the most abundant type of disorder in armchair nanoribbons synthesized by the bottom-up approach. First, we address their density and spatial distribution on the basis of scanning tunnelling microscopy and find that they exhibit a strong tendency to aggregate. Next, we explore their effect on the quantum charge transport from first-principles calculations, revealing that such imperfections substantially disrupt the conduction properties at the band edges. Finally, we generalize our theoretical findings to wider nanoribbons in a systematic manner, hence establishing practical guidelines to minimize the detrimental role of such defects on the charge transport. Overall, our work portrays a detailed picture of "bite" defects in bottom-up armchair graphene nanoribbons and assesses their effect on the performance of carbon-based nanoelectronic devices.