Regulation of the photoelectric properties of graphene by metal atoms: the first principle calculation
投稿时间:2019-10-17  修订日期:2020-04-02  download
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作者单位E-mail
李佳斌 西安工程大学 电子信息院 15991730364@163.com 
王晓华 西安工程大学 电子信息院  
王文杰 西安工程大学 电子信息院  
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.
keywords:graphene  metal atom adsorption  work function  optical property
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Copyright:《Journal of Infrared And Millimeter Waves》