Self-healing in unpassivated and passivated CdTe nanostructures: structural stability and optical properties

TL;DR

This study investigates how passivation affects the stability and optical properties of various CdTe nanostructures and predicts their self-healing abilities, highlighting potential for optoelectronic applications.

Contribution

It provides a comparative analysis of passivated and unpassivated CdTe nanostructures, introducing predictions of their self-healing capabilities based on structural and optical properties.

Findings

Passivated nanostructures show enhanced stability and optical properties.

Certain nanostructures exhibit significant self-healing abilities.

All studied structures are suitable for optoelectronic applications.

Abstract

We report the effects of passivation on the various properties like electronic structure, structural stability and optical properties of CdTe in the different nanostructure forms such as ultra-thin slabs, monolayers, nanorods and nanotubes. Further, based on these properties, the self-healing ability of each nanostructure has been predicted. The optical properties suggest that all of the passivated and specific unpassivated nanostructures are suitable for optoelectronic applications. The 2D system in <110> orientation and nanotube derived from the <111> monolayer show significant self-healing in the pristine structures.