In this study, one-dimensional (1D) β-graphyne (βGY) Nanoribbons (NRs) and its three types of BN-substituted derivatives are investigated by the self-consistent-field Crystal Orbital (SCF-CO) method. To the authors’ knowledge, little information about the structural, electronic and transport properties of the 1D βGY NRs and BN-substituted βGY derivatives has been reported before. The phonon analysis shows that these 1D NRs should be dynamically stable. The structures with more BN pairs are believed to be more stable. The BN substituted positions and the edge structures have great impact on the electronic properties of the studied NRs. These NRs can be conductors, semiconductors or insulators. It is found that the metallic NR with sp² hybridized C atoms substituted by BN units has high superconducting transition temperature which is even higher than those of alkali-doped C₆₀ complexes. The mobilities of charge carriers for these NRs are also calculated. The band structures and the mobilities of 1D NRs are compared with those of the corresponding two-dimensional (2D) slabs.

在这项研究中，一维（1D）β-石墨烯（βGY）纳米带（NRs）及其三种类型的BN取代衍生物通过自洽场晶体轨道（SCF-CO）方法进行了研究。据作者所知，关于一维βGYNRs和BN取代的βGY衍生物的结构，电子和输运性质的信息鲜有报道。在声子的分析表明，这些保护区1D应该是动态的稳定。具有更多BN对的结构被认为是更稳定的。BN取代的位置和边缘结构对所研究的NRs的电子性能有很大的影响。这些NR可以是导体，半导体或绝缘体。发现金属的NR与sp²被BN单元取代的杂化碳原子具有较高的超导转变温度，该温度甚至高于掺杂碱金属的C ₆₀配合物。还计算了这些NR的电荷载流子迁移率。将一维NR的能带结构和迁移率与相应的二维（2D）平板进行比较。