Abstract

Due to their suitable electrical and optical properties, ZnO nanostructure-based organic light-emitting diodes (LEDs) and perovskite LEDs can be utilized in the optoelectronics industry. A combination of ZnO nanorods and nanotubes with various types of polymers or hybrid perovskites leads to better waveguides and transportation of carriers. Therefore, more efficient LEDs are offered to the industry. In this research, four devices, including ZnO nanorod (nanotube)/MEH-PPV (CH3NH3PbI3) LEDs are simulated by SILVACO TCAD software. To provide deeper understanding of the impact of applying nanorods and nanotubes in hybrid heterostructures, an ab initio study has been conducted and the electronic structure, density of states, absorption coefficient and dielectric function of each of these nanostructures have been scrutinized. Subsequently, the obtained data have been utilized in the SILVACO simulation, and characteristics such as the current–voltage curve, light power–voltage curve, electroluminescence (EL) spectra and radiative recombination rate of four devices have been investigated. By employing a combination of a perovskite layer and ZnO nanotubes, the turn-on voltage of the simulated devices has been decreased from 13.7 V to 1.1 V. Moreover, a drastic increment in ultraviolet emission from devices based on ZnO nanotubes can be seen, which stems from occurrence of the whispering gallery mode and low defects of nanotubes compared to nanorods. A redshift caused by a reduction in the band gaps of the nanostructures can also be observed in the EL spectra.

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