(126e) Ultrathin: Understanding the Nanostructure of Alumina Atomic Layer Deposited Films on Layered Cathode Oxides
AIChE Annual Meeting
2023
2023 AIChE Annual Meeting
Topical Conference: Material Interfaces as Energy Solutions
Material Interfaces for Clean Energy: Fundamentals and Applications
Monday, November 6, 2023 - 4:30pm to 4:50pm
Atomic layer deposition (ALD) is a surface deposition technique that has been shown on layered transition metal oxides, such as LiCoO2 and LiNixMnyCo1-x-yO2, to improve the cycling stability and reduce the capacity fade of the resulting Li-ion batteries. In particular, thin (< 2 nm thick) alumina ALD films have been experimentally shown to be beneficial, with evidence that a Li-Al-O film is formed. Since the cathode surface forms an interface with electrolyte in a battery, it is important for this surface to promote a stable interface. ALD modifies the transition metal oxide surface. Our present work investigates alumina ALD on layered transition metal oxides and seeks to address why a Li-Al-O film is formed and how it is beneficial to the cathode oxide. In this work, we employed molecular dynamics (MD) simulations to explore the nanostructure of a Li-Al-O film in contact with a layered cathode oxide.
Our present work provides atomic insight into the experimentally observed Li-Al-O film. This work helps inform the understanding o f the protective mechanism of alumina ALD films on layered transition metal oxides for Li-ion battery applications.