Harnessing shell anisotropy (Prolate and Oblate) in oxidized CdSe/ZnS core/shell quantum dots for next-generation optoelectronic devices

Achieving a perfectly spherical nanostructures might not be feasible in experiments due to factors like growth kinetics, solvent’s nature and surface effects. This numerical investigation examines how the shape of a surrounding shell (prolate, spherical or oblate) in core/shell quantum dots (CSQDs) buried into two commonly used dielectric oxides (SiO₂ or HfO₂), microscopically influences their electro-optical characteristics. In the context of the effective mass approach (EMA) and the density matrix formalism (DMF), we have reached the stationary eigenstates and their matching wave functions by solving the Schrödinger equation. Our computations revealed that the discrete electronic states can fluctuate with ellipticity parameter as a consequence of different quantum confinement origins along the major and minor axes. The shell anisotropy provided an effective opportunity to finely adjust resonant frequencies and calibrate the magnitude order of the Quadratic electro-optic effects (QEOEs), electro-absorption (EA) process, optical absorption characteristics (OACs) and refractive index changes (RICs) within QD/oxide interfacs. Computed coefficients have experienced red/blue shift contingent upon variations in the inner core radius, ellipticity parameter and the types of capping oxides.