College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871, China.
Phys Chem Chem Phys. 2013 Jan 21;15(3):803-6. doi: 10.1039/c2cp42994b.
Various graphene quantum dots (GQDs) embedded in a hexagonal BN sheet were studied theoretically using the tight binding model. The effective mass was analyzed as a function of the distance between neighboring GQDs. It was found that the effective mass increases exponentially as the distance increases, indicating that the confined states of GQDs are well conserved in these hybrid systems. Further studies revealed that a ubiquitous gap of 0.3-3 eV exists, the size of which is mainly governed by the GQD's dimensions whereas it is insensitive to edge structures. These results show that GQDs in BN are promising candidates for optoelectronics.
采用紧束缚模型对嵌入在六方 BN 片层中的各种石墨烯量子点（GQDs）进行了理论研究。分析了有效质量随相邻 GQDs 距离的变化关系。结果表明，有效质量随距离的增加呈指数增长，表明在这些杂化体系中，GQDs 的受限态得到了很好的保持。进一步的研究表明，存在一个普遍的 0.3-3eV 的能隙，其大小主要由 GQD 的尺寸决定，而对边缘结构不敏感。这些结果表明 BN 中的 GQDs 是光电应用的有前途的候选材料。
