Regulation of the photoelectric properties of graphene by metal atoms: the first principle calculation
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School of Electronics and Information, Xi’an Polytechnic University, Xi’an 710048, China

Clc Number:

O469

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the National Natural Science Foundation of China 51905405;Scientific Research Program Funded by Shaan xi Provincial Education Department 19JK0375;Natural Science Basic Research Plan in Shannxi Province of China 2019JQ-855Supported by the National Natural Science Foundation of China (51905405), Scientific Research Program Funded by Shaan xi Provincial Education Department (19JK0375), Natural Science Basic Research Plan in Shannxi Province of China (2019JQ-855)

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    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.

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LI Jia-Bin, WANG Xia-Hua, WANG Wen-Jie. Regulation of the photoelectric properties of graphene by metal atoms: the first principle calculation[J]. Journal of Infrared and Millimeter Waves,2020,39(4):401~408

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History
  • Received:October 17,2019
  • Revised:April 02,2020
  • Adopted:November 19,2019
  • Online: April 01,2020
  • Published: