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Aerospace Engineering Commons

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Mechanical and Aerospace Engineering Faculty Research & Creative Works

2023

First-principles calculations

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Full-Text Articles in Aerospace Engineering

The Role Of Atomic Layer Deposited Coatings On Lithium-Ion Transport: A Comprehensive Study, Yufang He, Hiep Pham, Xinhua Liang, Jonghyun Park Dec 2023

The Role Of Atomic Layer Deposited Coatings On Lithium-Ion Transport: A Comprehensive Study, Yufang He, Hiep Pham, Xinhua Liang, Jonghyun Park

Mechanical and Aerospace Engineering Faculty Research & Creative Works

The Use of Ultrathin Film Coatings Prepared through Atomic Layer Deposition (ALD) Has Become Widespread for Improving Lithium-Ion Diffusivity of Active Particles, Which Plays a Crucial Role in Determining the Rate Capability of Lithium-Ion Batteries (LIBs). in This Study, the Impact of ALD Coating Thickness on Ionic Diffusivity in CeO2-Coated LiMn2O4 (LMO) Cathode Particles is Comprehensively Investigated through First-Principles Calculations by Focusing on the Trade-Offs between the Physical Properties of the Film and its Impact on the Diffusivity of Ions. Our Findings Indicate that Several Physical Factors Affect the Diffusivity of the Coating, Including the Crystal-Amorphous Structure that Depends on …