Interfacial study on solid electrolyte interphase at Li metal anode: Implication for Li dendrite growth

Z. Liu, Y. Qi, Y. X. Lin, L. Chen, P. Lu, L. Q. Chen

Research output: Contribution to journalArticlepeer-review

185 Scopus citations


The Solid electrolyte interphase (SEI), either naturally formed or artificially designed, plays a critical role in the stability and durability of Li-ion batteries (LIBs). It is even more important for high energy density electrodes such as Li metal anodes, which is subjected to large volumetric and interfacial variations due to Li deposition/stripping cycles during operation. Currently, there is a lack of understanding of the role of SEI/Li interfaces and their mechanical and electrochemical properties. In this paper, we present an interfacial study to evaluate the two major SEI components, LiF and Li2CO3, based on density functional theory (DFT) calculations. The calculated interfacial energy results show that the Li2CO3/Li interface has higher interfacial mechanical strength. The density of states (DOS) and electrostatic potential results demonstrate that the LiF/Li interface has higher electron tunneling energy barrier from Li metal to SEI. These results provide quantitative inputs for related meso-scale simulations and valuable insights for advanced electrode protective coating design.

Original languageEnglish (US)
Pages (from-to)A592-A598
JournalJournal of the Electrochemical Society
Issue number3
StatePublished - 2016

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Materials Chemistry
  • Surfaces, Coatings and Films
  • Electrochemistry
  • Renewable Energy, Sustainability and the Environment


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