Design of Nanosensors for Fissile Materials in Nuclear Waste Water

Abstract

Uranium and plutonium ions and their complexes play an important role in nuclear fuel reprocessing, and their trace characterization is important in nuclear forensics. In this work, we perform ab initio density functional theory calculations of U and Pu complexes with graphene and graphene oxide to examine the applicability of a graphene-based fissile sensor. We find that graphene needs to be functionalized to act as an effective sensor for detection of fissile materials such as uranium and plutonium complexes. This is because characteristic changes in the plasmonic properties of a finite graphene sheet, molecular electrostatic potentials, and current–voltage characteristics in oxidized graphene nanojunctions are strong signatures of the sorption of uranium or plutonium moieties.