First-principles prediction of universal relation between exchange current density and adsorption energy of rare-earth elements in a molten salt

Choah Kwon, Joonhee Kang, Seung Hyo Noh, Byungchan Han

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1 Citation (Scopus)

Abstract

Using first-principles calculations we developed, for the first time, atomistic-level kinetics model to identify a key descriptor controlling electrochemical behaviors of various rare-earth ions solvated in molten salt electrolyte depositing on a solid electrode. We identified that the thermodynamic adsorption energies of rare-earth elements in the metallic electrode have a universal relation with exchange current densities. Our studies can be very useful guide to separate high-level radioactive nuclear materials and industrially valuable rare-earth materials, which can substantially relieve the environmental protection issues in nuclear waste disposal.

Original languageEnglish
Pages (from-to)94-98
Number of pages5
JournalJournal of Industrial and Engineering Chemistry
Volume70
DOIs
Publication statusPublished - 2019 Feb 25

Bibliographical note

Funding Information:
The Nuclear R&D Program funded by the Ministry of Science and ICT (2016M2B2B1945254) supported this research. This work was also supported by the Global Frontier Program through the Global Frontier Hybrid Interface Materials (GFHIM) of the National Research Foundation of Korea (NRF) funded by the Ministry of Science and ICT (2013M3A6B1078882).

Funding Information:
The Nuclear R&D Program funded by the Ministry of Science and ICT ( 2016M2B2B1945254 ) supported this research. This work was also supported by the Global Frontier Program through the Global Frontier Hybrid Interface Materials (GFHIM) of the National Research Foundation of Korea (NRF) funded by the Ministry of Science and ICT ( 2013M3A6B1078882 ).

Publisher Copyright:
© 2018 The Korean Society of Industrial and Engineering Chemistry

All Science Journal Classification (ASJC) codes

  • Chemical Engineering(all)

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