With the increasing demand for low-cost and environmentally friendly energy, the application of rechargeable lithium-ion batteries (LIBs) as reliable energy storage devices in electric cars, portable electronic devices and space satellites is on the rise. Therefore, extensive and continuous research on new materials and fabrication methods is required to achieve the desired enhancement in their electrochemical performance. Battery active components, including the cathode, anode, electrolyte, and separator, play an important role in LIB functionality. The major problem of LIBs is the degradation of the electrolyte and electrode materials and their components during the charge‒discharge process. Atomic layer deposition (ALD) is considered a promising coating technology to deposit uniform, ultrathin films at the atomic level with controllable thickness and composition. Various metal films can be deposited on the surface of active electrodes and solid electrolyte materials to tailor and generate a protective layer at the electrode interface. In addition, synthesis of microbatteries and novel nanocomplexes of the cathode, anode, and solid-state electrolyte to enhance the battery performance can all be attained by ALD. Therefore, the ALD technique has great potential to revolutionize the future of the battery industry. This review article provides a comprehensive foundation of the current state of ALD in synthesizing and developing LIB active components. Additionally, new trends and future expectations for the further development of next-generation LIBs via ALD are reported. Graphical Abstract

This study focused on the atomic scale growth dynamics of amorphous Al₂O₃ films microscale structural relaxation. Classical Molecular Dynamics (MD) can not entirely model the challenging ALD dynamics due to the large timescales. The all-atom approach has rules based on deposition actions modelled MD relaxations that form as input to attain a single ALD cycle. MD relaxations are used to create a realistic equilibrium surface. This approach is fitting to this study as the investigation of the sticking coefficient is only at the first monolayer that includes the layering of a hydroxyl surface of alumina. The study provides insight between atomic-level numerical information and experimental measurements of the sticking coefficient related to the atomic layer deposition. The MD modeling was for the deposition of Al₂O₃, using trimethylaluminum (TMA) and water as precursors. The film thickness of 1.7 Å yields an initial sticking coefficient of TMA to be 4.257 × 10⁻³ determined from the slope of the leading front of the thickness profile at a substrate temperature of 573 K. This work adds to the knowledge of the kinetic nature of ALD at the atomic level. It provides quantitative information on the sticking coefficient during ALD.

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