Effects of Solid Electrolyte Interphase Components on the Reduction of LiFSI over Lithium Metal

Kamphaus, Ethan P.; Gomez, Stefany Angarita; Qin, Xueping; Shao, Minhua; Balbuena, Perla B.

doi:10.1002/cphc.202000174

Effects of Solid Electrolyte Interphase Components on the Reduction of LiFSI over Lithium Metal

Journal Article · Mon May 04 00:00:00 EDT 2020 · ChemPhysChem

DOI:https://doi.org/10.1002/cphc.202000174· OSTI ID:1838692

Kamphaus, Ethan P. ^[1]; Gomez, Stefany Angarita ^[2]; Qin, Xueping ^[3]; Shao, Minhua ^[3]; ^[2]

Texas A & M Univ., College Station, TX (United States); Texas A&M University
Texas A & M Univ., College Station, TX (United States)
Hong Kong University of Science and Technology (HKUST) Clear Water Bay (Hong Kong)

The use of a lithium metal anode still presents a challenging chemistry and engineering problem that holds back next generation lithium battery technology. One of the issues facing lithium metal is the presence of the solid electrolyte interphase (SEI) layer that forms on the electrode creating a variety of chemical species that change the properties of the electrode and is closely related to the formation and growth of lithium dendrites. In order to advance the scientific progress of lithium metal more must be understood about the fundamentals of the SEI. One property of the SEI that is particularly critical is the passivating behavior of the different SEI components. This property is critical to the continued formation of SEI and stability of the electrolyte and electrode. In this work, we report the investigation of the passivation behavior of Li₂O, Li₂CO₃, LiF and LiOH with the lithium salt LiFSI. Here, we used large computational chemistry models that are able to capture the lithium/SEI interface as well as the SEI/electrolyte interface. We determined that LiF and Li₂CO₃ are the most passivating of the SEI layers, followed by LiOH and Li₂O. These results match previous studies of other Li salts and provide further examination of LiFSI reduction.

View Accepted Manuscript (DOE)

Research Organization:: Texas A & M Univ., College Station, TX (United States). Texas A & M Engineering Experiment Station

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office. Batteries for Advanced Transportation Technologies (BATT) Program

Grant/Contract Number:: EE0008210

OSTI ID:: 1838692

Alternate ID(s):: OSTI ID: 1799456

Journal Information:: ChemPhysChem, Journal Name: ChemPhysChem Journal Issue: 12 Vol. 21; ISSN 1439-4235

Publisher:: ChemPubSoc EuropeCopyright Statement

Country of Publication:: United States

Language:: English

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