• 文献标题:   The exchange-correlation potential correction to the vacuum potential barrier of graphene edge
  • 文献类型:   Article
  • 作  者:   WANG WL, SHAO JW, LI ZB
  • 作者关键词:  
  • 出版物名称:   CHEMICAL PHYSICS LETTERS
  • ISSN:   0009-2614
  • 通讯作者地址:   Sun Yat Sen Univ
  • 被引频次:   13
  • DOI:   10.1016/j.cplett.2011.12.002
  • 出版年:   2012

▎ 摘  要

We investigated the vacuum potential barriers of various graphene edges terminated with hydrogen, oxygen, hydroxyl group and ether group, respectively. It is found that the exchange-correlation potential correction is significant to the edge structures with electronegativity higher than carbon. The correction leads to the local work function decreased by more than 1 eV for the O terminated edge, while the local work function of H and OH terminated edges remain unchanged. (C) 2011 Published by Elsevier B. V.