Physical mechanism on edge-dependent electrons transfer in graphene in mid infrared region

Xijiao Mu; Jian Chai; Jingang Wang; Yuee Li; Mengtao Sun

doi:10.1016/j.saa.2019.03.024

Physical mechanism on edge-dependent electrons transfer in graphene in mid infrared region

Spectrochim Acta A Mol Biomol Spectrosc. 2019 Jun 5:216:136-145. doi: 10.1016/j.saa.2019.03.024. Epub 2019 Mar 11.

Authors

Xijiao Mu¹, Jian Chai², Jingang Wang³, Yuee Li⁴, Mengtao Sun⁵

Affiliations

¹ School of Mathematics and Physics, Beijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, University of Science and Technology Beijing, Beijing 100083, PR China.
² School of Information Science and Engineering, Lanzhou University, Lanzhou 731100, PR China.
³ Computational Center for Property and Modification on Nanomaterials, College of Science, Liaoning Shihua University, Fushun 113001, PR China.
⁴ School of Information Science and Engineering, Lanzhou University, Lanzhou 731100, PR China. Electronic address: liyuee@lzu.edu.cn.
⁵ School of Mathematics and Physics, Beijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, University of Science and Technology Beijing, Beijing 100083, PR China. Electronic address: mengtaosun@ustb.edu.cn.

PMID: 30884352
DOI: 10.1016/j.saa.2019.03.024

Abstract

In this paper, we report nanophotonic properties of single layer graphene with Zigzag and/or armchair edge in the region of Mid Infrared (Mid-IR). The photoinduced charge transfer of graphene can occur in electronic state transition of Mid-IR region, and then the transferred electrons can interact with the phonon of graphene at Mid-IR. The coupling excitation of photon and phonon (graphene plasmon) can results in photon-electron-phonon interactions, which can significantly enhance resonance Raman scattering of Mid-IR region, which is so called "graphene plasmon-enhanced resonance Raman scattering of Mid-IR region". The photoinduced charge transfers are strongly dependent on the kinds of edge structures of Zigzag and/or armchair, which are revealed by charge difference density. It is found that the edge structures of Zigzag and/or armchair play the most important role on the orientation of charge transfer. The analysis of molecular orbital Pipek-Mezey localization reveals the nature of edge structure on the occurrence or not photoinduced charge transfer. Our results can promote deeper understanding nanophotonic mechanism of Mid Infrared graphene and can be potentially used in the design of optical device based on Mid Infrared graphene.

Keywords: Charge transfer excitation; Edge; Graphene QDs; Mid infrared.