Understanding of Size Dependent Properties of CdTe Quantum Dots

Using DFT calculations, we have studied the size-dependent properties of (CdTe)(n)nano sized quantum dots (QDs) (n=1-9) in polar (water) and nonpolar (gas and toluene) environment. The stability, relative stability and reactivity of the nanocluster is explained in terms of binding energy (BE), second order energy differential (Delta E-2) and energy gap(Delta epsilon). Our investigationreveals that structure dependent response are mainlyobserved for smaller clusters. The remarkably small BE values of CdTe in water and toluene compared to the corresponding values in gas phase shows the solvent stabilization to the CdTeQDs.