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1.
ACS Omega ; 8(2): 2337-2343, 2023 Jan 17.
Artículo en Inglés | MEDLINE | ID: mdl-36687030

RESUMEN

In recent years, both chitosan and ZnO nanostructures have been identified as potential antibacterial substances; however, the potential applications of chitosan adsorbed on ZnO nanowires have not been explored and could offer exciting new perspectives for both materials, for example, in biocompatible electronic circuits. In this work, we investigate the effect of chitosan on the electronic properties of triangular ZnO nanowires (ZnO NWs) from a theoretical perspective. All calculations were performed using density functional theory within the generalized gradient approximation. We considered six different positions of the chitosan molecule (CS) on the nanowire surface. We varied the amine position of CS, viewing it parallel, perpendicular, and at a 45° angle with respect to the NW axis. Our results show that all configurations are chemically stable; moreover, the interaction of the NW surface with the OH radical of CS creates flat states within the band gap energy of the ZnO NWs that might resemble p-doping. In addition, these states induce changes in the band gap energy of the ZnO NWs. All NWs show high chemical stability regardless of the CS position; hence, the adsorption results of all NW assemblies appear to be chemically favorable.

2.
Heliyon ; 5(8): e02224, 2019 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-31440591

RESUMEN

In this paper, we have to apply the Dirac-Weyl equation to find the analytical energy eigenvalues of the graphene quantum dot interacting in the presence of AB-flux field and external magnetic field. We find that the energy eigenvalue of the graphene quantum dot decreases with both magnetic and AB-flux field but the effect of AB-flux field is more dominant. By ameliorating the intensity of the AB-flux field and keeping the magnetic field constant, the quantum-dot states entangled to produce Landau Levels. We show that besides using the graphene sheet and external magnetic field, the Aharonov-Bohm AB-flux field could as well be used to manipulate the carriers state energies in graphene.

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