• Journal of Infrared and Millimeter Waves
  • Vol. 39, Issue 4, 401 (2020)
Jia-Bin LI, Xia-Hua WANG, and Wen-Jie WANG*
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    DOI: 10.11972/j.issn.1001-9014.2020.04.002 Cite this Article
    Jia-Bin LI, Xia-Hua WANG, Wen-Jie WANG. Regulation of the photoelectric properties of graphene by metal atoms: the first principles calculation[J]. Journal of Infrared and Millimeter Waves, 2020, 39(4): 401 Copy Citation Text show less

    Abstract

    Based on the first principles study, this paper investigates the control of the work function and optical properties of graphene absorbed with metal atoms. The work is conducted with eight different kinds of metal that are of most reactive (Na, K, and Al) and commonly used in experiments (Ti, Ag, Ru, Au, and Pt). The results show that all the adatoms loss electrons, resulting in the Dirac cone of graphene moves toward the direction of the low energy except for the adsorption of Ti and Ru atoms. The work functions of all the adsorption structures arelower than that of graphene. Particularly, the smaller work functions of Tiand Ru adsorption are observed due to the strong interaction between the Ti or Ru atom and graphene. Furthermore, the optical properties change greatly owing to the existence of adatoms. ?1(0) varies greatly with the different adsorption structures, the absorption intensity of the visible light and the infrared increased greatly.
    Eb=EG+nEM-EG-nMn()

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    Jia-Bin LI, Xia-Hua WANG, Wen-Jie WANG. Regulation of the photoelectric properties of graphene by metal atoms: the first principles calculation[J]. Journal of Infrared and Millimeter Waves, 2020, 39(4): 401
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