Germanene nanoribbons

"Structural and electronic properties of hydrogen-functionalized armchair germanene nanoribbons: A first-principles study" present the critical physical quantities to analyze the structural and electronic properties are fully developed through the first-principles calculations, including the functionalization energy, optimal structural parameters, orbital- and atom-decomposed electronic band structures and density of states, charge density, and charge density difference.

13p lieuyeuyeu18 23-12-2022 12 5   Download

The main objective of paper "Feature-rich electronic properties of germanene nanoribbons under fluorine doping effect: A DFT study" is to understand the most stable adsorption configurations, binding energies, densities of states, specific densities of states, and region structures of the system.

13p lieuyeuyeu18 23-12-2022 9 4   Download

"Structural and electrical properties of germanene nanoribbons doped with boron - A DFT study" using density functional theory (DFT) and VASP software, the formation energies, energy band structures, and density of states of the configurations are studied. The configuration for the smallest formation energy is the most optimal configuration, so this configuration is the most stable. The appearance of an external electric field changes the band gap and the energy band structure of the system.

8p lieuyeuyeu18 23-12-2022 15 3   Download

This work studies one-dimensional germanene materials (germanene nanoribbons (GeNRs)) when doped with B atoms. The doped structure and electromagnetic properties of the pre-and post-doping systems will be studied and investigated.

9p viharry 15-12-2022 7 2   Download

In the paper, we investigate the structure and electronic properties of the pristine germanene nanoribbon and four adsorption configurations of 1F and 2F on the substrate of germanene nanoribbon. We obtained the parameters of the most stable structures of pristine germanene nanoribbon and four adsorption configurations. The band structure and the density of state and the part density of state for each element were also obtained.

12p vispyker 14-11-2022 54 5   Download