Size and refinement edge-shape effects of graphene quantum dots on UV-visible absorption

作者：Zhang, Ruiqiang; Qi, Shifei; Jia, Jianfeng; Torre, Bryna; Zeng, Hao; Wu, Haishun; Xu, Xiaohong^*

来源：Journal of Alloys and Compounds, 2015, 623: 186-191.

DOI：10.1016/j.jallcom.2014.10.105

• Nanostructured materials
• Computer simulations
• Optical properties

Using the ab initio density-functional theory method, we calculated the size effect and edge shape effect on UV-visible light absorption of different shapes of graphene quantum dots (GQDs). There are two interesting findings in this study. First, the edge shape effect increase with increasing the size of square GQDs. Second, the Seam atoms, located at the boundary between zigzag and armchair edges, hardly contribute to the strongest visible light absorption. This refinement of the edge-shape effect can be found in rectangular, triangular and hexagonal GQDs. This new finding will be useful in applications of GQDs in the visible light absorption nanodevices.

• 出版日期2015-2-25
• 单位山西师范大学