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From Used Oxide Nuclear Fuel to Rechargeable Battery: A First-Principles Study

Published online by Cambridge University Press:  10 June 2013

Binbin Wu  and
Jianguo Yu
Binbin Wu
Affiliation:
Idaho National Laboratory, Idaho Falls, ID 83415 The Ohio State University, Department of Chemical and Biomolecular Engineering, Columbus, OH 43210
Jianguo Yu*
Affiliation:
Idaho National Laboratory, Idaho Falls, ID 83415
*
*Email: [email protected]
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Abstract

Although uranium oxides have played essential roles in many nuclear reactions, it is imperative to pursue alternative solutions to reuse the spent fuels due to paramount safety and economic concern. Spent nuclear oxide fuels include uranium dioxide (UO2), triuranium octoxide (U3O8) and uranium trioxide (UO3). In this work, first principles calculations based on density functional theory (DFT) were carried out on MUO2, MU3O8 and MUO3 (M= Li, Na and K) to explore their possibilities to serve as grid-storage-based cathode materials. In particular, the result of the optimal structures, average open circuit voltages (OCV) and mechanic stabilities during charge and discharge processes are presented. These results are also compared to available experimental data.

Keywords

energy storagesimulationnuclear materials
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1541: Symposium F – Materials for Vehicular and Grid Energy Storage , 2013 , mrss13-1541-f05-07
Copyright
Copyright © Materials Research Society 2013 

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