Abstract
This study explores the effects of Si and Si-P heteroatoms doping and co-doping on a monolayer graphene surface through density functional analysis. The results suggest that doping with Si and co-doping with Si-P significantly alters the bonding arrangement of the atoms surrounding the graphene sheet. Additionally, the surface of the graphene material had a high concentration of electrons in both Si doping and Si-P co-doping, based on electron population analysis. The HOMO–LUMO gap of graphene sheets was found to decrease in the following order: pristine graphene sheet > Si-doped graphene sheet > Si-P co-doped graphene sheet. Furthermore, a TD-DFT study revealed that the absorption wavelength of Si and Si-P co-doped graphene systems had a greater shift to a lower range compared to pristine graphene. The order of decreasing absorption wavelength is Si-P co-doped graphene, Si doped graphene, and pristine graphene. These materials are suggested to have a high potential for photodetector applications due to their broad absorption range.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: 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.