• 文献标题:   Adsorption of Cs-O on Graphene: Modification of the Anderson-Newns Model for the Calculation of Work Function Variation
  • 文献类型:   Article
  • 作  者:   LI YK, XU G, HU HQ, CHENG XY, JIANG ZZ
  • 作者关键词:   graphene, work function, cso adsorption, anderson #8211, newns model, coverage, calculation
  • 出版物名称:   JOURNAL OF ELECTRONIC MATERIALS
  • ISSN:   0361-5235 EI 1543-186X
  • 通讯作者地址:   Chinese Acad Sci
  • 被引频次:   0
  • DOI:   10.1007/s11664-020-08574-0 EA NOV 2020
  • 出版年:   2021

▎ 摘  要

A modified Anderson-Newns (A-N) model for calculating the work function and the charge transfer of Cs-O-adsorbed graphene surface with the coverage of adsorbed particles is proposed. The calculation of the length of adsorption bond lambda is optimized. The work function and the amount of charge transfer for different coverage of Cs-O molecules are calculated, and the calculated results variations are in reasonable agreement with the experimental data. As coverage theta increases, the amount of charge transfer Z decreases and the work function phi first decreases to a certain value and then increases slightly. When theta = 0.8, the work function phi reaches a minimum value of 0.7.