Abstract
6,6,12-graphyne is found to be promising electronic materials in the field of nanoelectronic device. Previous studies have found that the 6,6,12-graphyne shows anisotropic current and negative differential resistance (NDR) and lithium (Li) decorated 6,6,12-graphyne has been found to be a potential hydrogen storage material. Herein, the electronic transport properties of Li decorated monolayer 6,6,12-graphyne are investigated via non-equilibrium Green’s function and the density functional theory. Compared with pristine 6,6,12-graphyne, our results demonstrate that Li enhances electronic transport properties of monolayer 6,6,12-graphyne. In details, the band structure and density of states of Li decorated 6,6,12-graphyne move toward the low energy region clearly, and the energy bands transform from zero band gap semiconductor to metallic properties after Li decorating. In addition, the corresponding two-electrode device models also exhibit anisotropy in electron transport. Remarkably, the current response in low bias region is significantly enhanced about one order of magnitude. Moreover, the NDR effect of Li decorated 6,6,12-graphyne is significantly enhanced and the NDR effect of zigzag models is more remarkable. This work demonstrates the electronic transport properties of Li decorated 6,6,12-graphyne, which can be further applied for novel nanoelectronic devices based on monolayer 6,6,12-graphyne.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
