Programme

P.49 -- Poster, VCTP-49

Date: Friday, 2 August 2024

Time: 08:30 - 10:00

Investigation of C and Si-doped 2D germanene quantum dots for potential nanotechnology applications

Hoang Van Ngoc

Thu Dau Mot University

Research on nanostructured materials underpins the development of contemporary smart devices. This study focuses on pristine 2D germanene quantum dots and their carbon (C) and silicon (Si) doped counterparts. The investigated structures are monolayers, each comprising 37 germanium (Ge) atoms with hydrogen-passivated edges. Density functional theory (DFT), coupled with the Vienna Ab initio Simulation Package (VASP), was employed for the analysis. The findings reveal that all three structures are stable and exhibit non-magnetic metallic properties. Notably, C-doping significantly reduces the buckling height of the system. Systematic examination of the partial densities of states indicates complex multi-orbital hybridizations. Charge density difference analysis demonstrates a decrease in charge around C atoms and an increase around Si atoms. This research enhances the understanding of germanene materials and lays the groundwork for their potential applications in nanotechnology.

Presenter: Hoang Van Ngoc