Jump to main content
Jump to site search
PLANNED MAINTENANCE Close the message box

Scheduled maintenance work on Wednesday 27th March 2019 from 11:00 AM to 1:00 PM (GMT).

During this time our website performance may be temporarily affected. We apologise for any inconvenience this might cause and thank you for your patience.


Issue 21, 2018
Previous Article Next Article

Multifunctional BBF monolayer with high mechanical flexibility and strong SHG response

Author affiliations

Abstract

Multi-functional two-dimensional (2D) materials are being researched due to their attractive properties and novel applications in nano-electronic, nano-optoelectronic, topological insulator, and energy-storage devices. In the present contribution, with the aid of first-principles calculations, the mechanical and nonlinear optical properties of a newly designed Be2BO3F2 (BBF) monolayer were investigated. Our results illustrate that the BBF monolayer possesses unexpectedly higher flexibility than the typical and well-known flexible optoelectronic material MoS2 in terms of Young's modulus. Moreover, the BBF monolayer also exhibits a strong second harmonic generation (SHG) response of 5.65 Ɨ 104 pm2 Vāˆ’1 which is 2.5 times that of a MoS2 monolayer. The honeycomb structure of the BBF monolayer appears to have a good mechanical stability, as revealed by the positive phonon modes and elastic constants. The highlighted electronic structure and properties, such as the large band gap (7.95 eV) and the large SHG response, make the BBF monolayer suitable for potential applications in flexible deep ultra-violet (DUV) nonlinear optical devices. We believe that the present research will provide useful guidance for the design of a new generation of nano-electronic devices.

Graphical abstract: Multifunctional BBF monolayer with high mechanical flexibility and strong SHG response

Back to tab navigation

Supplementary files

Publication details

The article was received on 19 Jul 2018, accepted on 18 Sep 2018 and first published on 01 Oct 2018


Article type: Paper
DOI: 10.1039/C8NJ03611J
Citation: New J. Chem., 2018,42, 17291-17295

  •   Request permissions

    Multifunctional BBF monolayer with high mechanical flexibility and strong SHG response

    Y. Rouzhahong, M. Mamat, B. Mu and Q. Wang, New J. Chem., 2018, 42, 17291
    DOI: 10.1039/C8NJ03611J

Search articles by author

Spotlight

Advertisements