Programme

P.11 -- Poster, VCTP-46

Date: Tuesday, 5 October 2021

Time: 08:30 - 10:00

Some Essential Properties of Germanene Nanoribbons Under Potassium Doping Effect: A DFT Study

Vo Van On

Institute of Applied Technology, Thu Dau Mot University, Binh Duong, Vietnam

In the paper, we study some essential properties of Germanene nanoribbons under potassium doping with low concentrations ( K: Ge =1:12; 1:6, and 1:3) by DFT calculations as the binding energies, optimal lattice parameters, atom-projected band structures, orbital- and atom-projected density of states (DOSs), and charge density distributions. Results show that potassium (K) adatom favorably adsorbs at the hollow site of GeNRs. The Potassium-doped systems belong to physical adsorptions, the adsorption energy in the 1K_NRGe configuration is minimum and gets -2.05eV. The bandgap of the K-NRGe adsorption systems seems to depend on the adsorption sites of K on the NRGe substrate, it reaches a maximum of 0.83eV in the 2K-NRGe configuration at the hollow site. The feature-rich electronic properties of GeNRs induced by the Kalium adatom doping effect are suitable for various applications in electronic devices.

Presenter: On Van Vo