• 文献标题:   Band Structures of Metal-Oxide Capped Graphene: A First Principles Study
  • 文献类型:   Article
  • 作  者:   LIU H, SUN QQ, CHEN L, XU Y, DING SJ, ZHANG W, ZHANG SL
  • 作者关键词:  
  • 出版物名称:   CHINESE PHYSICS LETTERS
  • ISSN:   0256-307X EI 1741-3540
  • 通讯作者地址:   Fudan Univ
  • 被引频次:   5
  • DOI:   10.1088/0256-307X/27/7/077201
  • 出版年:   2010

▎ 摘  要

We perform a first-principles calculation based on density functional theory to investigate the interface between single layer graphene and metal oxides. Our study reveals that the monolayer graphene becomes semiconducting by single crystal SiO2 and Al2O3 contact, with energy gaps to similar to 0.9 and similar to 1.8 eV, respectively. We find the gap originates from the breakage of.. bond integrity, whose extent is related to the interface atom configuration. We believe that our results highlight a promising direction for the feasibility to apply large scale graphene layers as building blocks in future electronics devices.