47. revisiting the conversion reaction voltage and the reversibility of the cuf2 electrode in li-ion batteries

Department: NanoEngineering
Research Institute Affiliation: Agile - Sustainable Power and Energy Center (SPEC)
Faculty Advisor(s): Ying Meng | Ping Liu | Olivia A. Graeve | Jian Luo | Kesong Yang

Primary Student
Name: Joon Kyo Seo
Email: joonkyo.seo@gmail.com
Phone: 858-822-4247
Grad Year: 2017

Abstract
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.

Industry Application Area(s)
Energy/Clean technology | Materials | Rechargeable battery

Related Links:

  1. https://link.springer.com/article/10.1007/s12274-016-1365-6
  2. http://ma.ecsdl.org/content/MA2016-01/2/236.short

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