Acta Phys. -Chim. Sin. ›› 2014, Vol. 30 ›› Issue (6): 1049-1054.doi: 10.3866/PKU.WHXB201404092

• THEORETICAL AND COMPUTATIONAL CHEMISTRY • Previous Articles     Next Articles

Near-Infrared Plasmon Study on N-Doped Hexagonal Graphene Nanostructures

YIN Hai-Feng1, ZHANG Hong2, YUE Li1   

  1. 1 College of Physics and Electronic Engineering, Kaili University, Kaili 556011, Guizhou Province, P. R. China;
    2 College of Physical Science and Technology, Sichuan University, Chengdu 610065, P. R. China
  • Received:2014-01-15 Revised:2014-04-08 Published:2014-05-26
  • Contact: YIN Hai-Feng, ZHANG Hong E-mail:yinhaifeng1212@126.com;hongzhang@scu.edu.cn
  • Supported by:

    The project was supported by the National Natural Science Foundation of China (11074176), Science and Technology Foundation of Guizhou Province, China (LKK[2013]19), Universities Outstanding Scientific and Technical Innovators Support Program of Department of Education of Guizhou Province, China (KY [2013]152), and Planning Project of Kaili University, China (Z1308).

Abstract:

Near-infrared plasmons in N-doped hexagonal graphene nanostructures were investigated using time-dependent density functional theory. Along a certain direction, N-doped hexagonal graphene nanostructures with a side length of 1 nm have more intense plasmon resonances throughout the nearinfrared spectral region. The electrons that participate in these near-infrared plasmon resonances oscillate back and forth between the center and edge regions of the hexagonal nanostructures. The formation of a near-infrared plasmon resonance mode depends on the nitrogen-doping position and the scale size of the graphene nanostructure. It is only when the nitrogen-doped location is close to the edge of the nanostructures, near-infrared plasmon resonance mode of the graphene nanostructure will be formed. For N-doped hexagonal graphene nanostructures with a side length of less than 1 nm, there is no plasmon resonance in the nearinfrared spectral region.

Key words: Plasmon, N-doped graphene, Nanostructure, Near-infrared spectroscopy, Time-dependent density functional theory

MSC2000: 

  • O641