论文标题
不同石墨烯量子点几何形状的电子结构的计算确定
Computational Determination of the Electronic Structure for different Graphene Quantum Dot geometries
论文作者
论文摘要
碳纳米结构（如量子点和辐射）之间的相互作用可以在纳米材料内部产生不同的效果，并且使用计算方法可以预测并优化允许所需输出的材料。在这项工作中，研究了原始石墨烯量子点的理论模型，从而可以解释电子特性的形状和大小依赖性以及如何通过边缘纳米结构的功能化来调整频带隙。
The interaction between carbon nanostructures like quantum dots and radiation can generate different effects inside the nanomaterial, with the use of computational methods such effects can be predicted and optimize the material allowing a desired output. In this work, a theoretical model for pristine graphene quantum dots is studied, allowing to explain the shape and size dependence for the electronic properties and how the bandgap can be tuned with the functionalization of the nanostructure at the edges.
