• 文献标题:   Size and refinement edge-shape effects of graphene quantum dots on UV-visible absorption
  • 文献类型:   Article
  • 作  者:   ZHANG RQ, QI SF, JIA JF, TORRE B, ZENG H, WU HS, XU XH
  • 作者关键词:   nanostructured material, computer simulation, optical propertie
  • 出版物名称:   JOURNAL OF ALLOYS COMPOUNDS
  • ISSN:   0925-8388 EI 1873-4669
  • 通讯作者地址:   Shanxi Normal Univ
  • 被引频次:   19
  • DOI:   10.1016/j.jallcom.2014.10.105
  • 出版年:   2015

▎ 摘  要

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. (C) 2014 Elsevier B.V. All rights reserved.