Self-Assembly of Uranyl-Peroxide Nanocapsules in Basic Peroxidic Environments

Identifier:  imarina:5130742

Handle: https://hdl.handle.net/20.500.11797/imarina5130742

Authors:  Miro, Pere; Vlaisavljevich, Bess; Gil, Adria; Burns, Peter C; Nyman, May; Bo, Carles

Abstract:
A wide range of uranyl-peroxide nanocapsules have been synthesized using very simple reactants in basic media; however, little is known about the process to form these species. We have performed a density functional theory study of the speciation of the uranyl ions under different experimental conditions and explored the formation of dimeric species via a ligand exchange mechanism. We shed some light onto the importance of the excess of peroxide and alkali counterions as a thermodynamic driving force towards the formation of larger uranyl-peroxide species.