Publication

Early-Stage Growth of LiNbO<sub>3</sub> on NMC811: Substrate-Induced Challenges and In Situ QCM Insights for Optimized ALD-Based Artificial CEIs

2025

Abstract

Atomic layer deposition (ALD) has emerged as a cutting-edge technique for fabricating cathode-electrolyte interphase (CEI) layers on cathodic materials, offering precise thickness control and excellent conformality to enhance the stability of highenergy-density lithium-ion batteries. However, despite widespread ALD applications, the early-stage growth dynamics of battery materials remain poorly understood and present unexpected challenges. This study provides novel insights into the nucleation dynamics and early growth behavior of lithium niobium oxide (LiNbO 3 , LNO) on physical vapor deposition (PVD)-sputtered LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) cathode materials using in situ quartz crystal microbalance (QCM) and complementary electron microscopy techniques. The results reveal significant substrate inhibition during initial ALD cycles, leading to island growth, poor surface coverage at low thicknesses, and chemical inhomogeneity. These substrate-induced effects create an interdependence between film thickness and substrate coverage, which compromises artificial CEI effectiveness, particularly at thicknesses below 10 nm. A critical thickness threshold of approximately 13 nm is identified for complete film closure, highlighting a deviation from the ideal layer-by-layer ALD growth and underscoring the strong influence of precursor−surface interactions. Furthermore, this work demonstrates that pulsing sequences play a decisive role in film composition, density, and uniformity. A 1Li:4Nb ratio effectively mitigates compositional gradients caused by the preferential adsorption of lithium tert-butoxide (LiO t Bu) over niobium penta-ethoxide (Nb(OEt) 5) on the NMC811 surface. This approach yields nearstoichiometric LiNbO 3 films with enhanced chemical homogeneity and density, whereas a 1Li:1Nb sequence results in chemically graded and porous films. These findings highlight the critical need for optimized ALD strategies to address substrate-induced growth limitations and advance the artificial CEI performance.

Official source

https://infoscience.epfl.ch/entities/publication/aec0ce37-a0e8-4743-83c4-47cfae12c88d

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2025

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/aec0ce37-a0e8-4743-83c4-47cfae12c88d

About this result

Related concepts (32)

Chemical vapor deposition

Chemical vapor deposition (CVD) is a vacuum deposition method used to produce high-quality, and high-performance, solid materials. The process is often used in the semiconductor industry to produce thin films. In typical CVD, the wafer (substrate) is exposed to one or more volatile precursors, which react and/or decompose on the substrate surface to produce the desired deposit. Frequently, volatile by-products are also produced, which are removed by gas flow through the reaction chamber.

Atomic layer deposition

Atomic layer deposition (ALD) is a thin-film deposition technique based on the sequential use of a gas-phase chemical process; it is a subclass of chemical vapour deposition. The majority of ALD reactions use two chemicals called precursors (also called "reactants"). These precursors react with the surface of a material one at a time in a sequential, self-limiting, manner. A thin film is slowly deposited through repeated exposure to separate precursors.

Thin film

A thin film is a layer of material ranging from fractions of a nanometer (monolayer) to several micrometers in thickness. The controlled synthesis of materials as thin films (a process referred to as deposition) is a fundamental step in many applications. A familiar example is the household mirror, which typically has a thin metal coating on the back of a sheet of glass to form a reflective interface. The process of silvering was once commonly used to produce mirrors, while more recently the metal layer is deposited using techniques such as sputtering.

Related publications (32)

Early-Stage Growth of LiNbO<sub>3</sub> on NMC811: Substrate-Induced Challenges and In Situ QCM Insights for Optimized ALD-Based Artificial CEIs

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