Revisiting the conversion reaction voltage and the reversibility of the CuF2 electrode in Li-ion batteries

Seo, Joon Kyo; Cho, Hyung-Man; Takahara, Katsunori; Chapman, Karena W.; Borkiewicz, Olaf J.; Sina, Mahsa; Shirley Meng, Y.

doi:10.1007/s12274-016-1365-6

Title: Revisiting the conversion reaction voltage and the reversibility of the CuF2 electrode in Li-ion batteries

Journal Article · Mon Feb 13 00:00:00 EST 2017 · Nano Research

DOI:https://doi.org/10.1007/s12274-016-1365-6· OSTI ID:1459949

Seo, Joon Kyo; Cho, Hyung-Man; Takahara, Katsunori; Chapman, Karena W.; Borkiewicz, Olaf J.; Sina, Mahsa; Shirley Meng, Y.

Deviation between thermodynamic and experimental voltages is one of the key issues in Li-ion conversion-type electrode materials; the factor that affects this phenomenon has not been understood well in spite of its importance. In this work, we combine first principles calculations and electrochemical experiments with characterization tools to probe the conversion reaction voltage of transition metal difluorides MF2 (M = Fe, Ni, and Cu). We find that the conversion reaction voltage is heavily dependent on the size of the metal nanoparticles generated. The surface energy of metal nanoparticles appears to penalize the reaction energy, which results in a lower voltage compared to the thermodynamic voltage of a bulk-phase reaction. Furthermore, we develop a reversible CuF2 electrode coated with NiO. Electron energy loss spectroscopy (EELS) elemental maps demonstrate that the lithiation process mostly occurs in the area of high NiO content. This suggests that NiO can be considered a suitable artificial solid electrolyte interphase that prevents direct contact between Cu nanoparticles and the electrolyte. Thus, it alleviates Cu dissolution into the electrolyte and improves the reversibility of CuF2.

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science - Office of Basic Energy Sciences - Scientific User Facilities Division; USDOE Office of Science - Energy Frontier Research Center - NorthEast Center for Chemical Energy Storage (NECCES)

DOE Contract Number:: AC02-06CH11357

OSTI ID:: 1459949

Journal Information:: Nano Research, Vol. 10, Issue 12; ISSN 1998-0124

Publisher:: Springer

Country of Publication:: United States

Language:: English

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