Deep Understanding Of Degradation In Lithium Ion Batteries Through Experimental And First Principles Study

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Deep Understanding of Degradation in Lithium Ion Batteries Through Experimental and First-principles Study

"The growing interests in Lithium-ion Batteries (LIBs) have significantly accelerated the development of active materials. However, the key challenge is that electrode materials suffer from degradation, which include transition metal dissolution, solid electrolyte interphase (SEI) layer formation, and mechanical fracture. To address these issues, applying an ultrathin coating onto active materials via Atomic Layer Deposition (ALD) is an efficient way. Although numerious works have been done for active material performance improvement via ALD technology, the fundamental enhancement mechanisms of ALD coating on battery performance improvement are not yet known. Therefore, this dissertation consists of four papers, which focused on the ALD coating impact on Li intercalation, metal dissolution, Li ion diffusivity and interfacial property of SEI layer via first-principles study. Paper I explained why CeO2 coating has better performance than Al2O3 coating material via faster Li diffusion, facile intercalation, and less mechanical damage of coating. Paper II discovered an unexpected metal dissolution that ultrathin CeO2 coating intensifies the Mn dissolution of LMO and it was confirmed in several ways, including ICP-OES measurement, Mn vacancy formation energy calculation, COOP analysis, PDOS analysis, and cell level performance. Paper III revealed that the ALD CeO2 coating thickness impact on Li ion diffusivity in coated LMO is related to surface and bulk diffusion domination and phase transition of coating layers. Paper IV demonstrated that the fracture strength of inorganic components of SEI layer was higher than organic component, implying that the inorganic-organic interface can effectively block electron transport from electrolyte to anode particles to prevent futher oxidation of active materials"--Abstract, page iv.
Lithium-Ion Batteries

Lithium-ion batteries (LIBs), as a key part of the 2019 Nobel Prize in Chemistry, have become increasingly important in recent years, owing to their potential impact on building a more sustainable future. Compared with other batteries developed, LIBs offer high energy density, high discharge power, and a long service life. These characteristics have facilitated a remarkable advance of LIBs in many frontiers, including electric vehicles, portable and flexible electronics, and stationary applications. Since the field of LIBs is advancing rapidly and attracting an increasing number of researchers, it is necessary to often provide the community with the latest updates. Therefore, this book was designed to focus on updating the electrochemical community with the latest advances and prospects on various aspects of LIBs. The materials presented in this book cover advances in several fronts of the technology, ranging from detailed fundamental studies of the electrochemical cell to investigations to better improve parameters related to battery packs.
Lithium-Related Batteries

This book serves as a comprehensive treatment of the advanced microscopic properties of lithium- and sodium-based batteries. It focuses on the development of the quasiparticle framework and the successful syntheses of cathode/electrolyte/anode materials in these batteries. FEATURES Highlights lithium-ion and sodium-ion batteries as well as lithium sulfur-, aluminum-, and iron-related batteries Describes advanced battery materials and their fundamental properties Addresses challenges to improving battery performance Develops theoretical predictions and experimental observations under a unified quasiparticle framework Targets core issues such as stability and efficiencies Lithium-Related Batteries: Advances and Challenges will appeal to researchers and advanced students working in battery development, including those in the fields of materials, chemical, and energy engineering.