(546a) Nucleation and Growth of Solid-Electrolyte Interphase Components at Electrode Surfaces: Role of Electrolyte Solution Chemistry and Concentration

Solid Electrolyte Interphases (SEI) grow at the electrode surface because of electrolyte chemical and electrochemical instability. The SEI nucleation and growth start even at open circuit conditions, especially with anode surfaces as reactive as Li, Na, and other metals, when they are in contact with liquid or solid electrolytes. At open circuit conditions, the reaction can be described as Li oxidation and electrolyte reduction. In this talk I will discuss this spontaneous SEI formation and especially the role of the electrolyte chemistry and concentration on the initial nucleation and posterior growth. Our methods include density functional theory, classical molecular dynamics, ab initio molecular dynamics, and constrained molecular dynamics simulations. The computational results are discussed in the context of experimental observations.