Abstract
Classical molecular dynamics has been used to study the stabilization of colloidal quantum dots of CdSe with n-octadecylphosphonic acid molecules in combination with different auxiliary ligands, such as trioctylphosphine, trioctylphosphine oxide, and hexadecylamine. The effects of different ligands that may be formed due to interactions of n-octadecylphosphonic acid with CdO and Se in an initial mixture have been considered. It has been shown that, among these ligands, the stabilizing effect increases with a rise in the charge of a ligand per n-octadecyl chain. The role of the auxiliary ligands, e.g. octadecene that devoid of functional groups, has been studied.
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