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.
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