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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Koeppe, Arnd
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Topics
Publications (6/6 displayed)
- 2024From Powder to Pouch Cell: Setting up a Sodium‐Ion Battery Reference System Based on Na₃V₂(PO₄)₃/C and Hard Carboncitations
- 2023An interdisciplinary approach to data management
- 2023An Interdisciplinary Approach to Manage Materials Data with Kadi4Mat and Chemotion
- 2023Identification of Lithium Compounds on Surfaces of Lithium Metal Anode with Machine-Learning-Assisted Analysis of ToF-SIMS Spectracitations
- 2021Dataset: Explainable artificial intelligence for mechanics: physics-informing neural networks for constitutive models
- 2021Workflow concepts to model nonlinear mechanics with computational intelligencecitations
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article
Identification of Lithium Compounds on Surfaces of Lithium Metal Anode with Machine-Learning-Assisted Analysis of ToF-SIMS Spectra
Abstract
Detailed knowledge about contamination and passivation compounds on the surface of lithium metal anodes (LMAs) is essential to enable their use in all-solid-state batteries (ASSBs). Time-of-flight secondary ion mass spectrometry (ToF-SIMS), a highly surface-sensitive technique, can be used to reliably characterize the surface status of LMAs. However, as ToF-SIMS data are usually highly complex, manual data analysis can be difficult and time-consuming. In this study, machine learning techniques, especially logistic regression (LR), are used to identify the characteristic secondary ions of 5 different pure lithium compounds. Furthermore, these models are applied to the mixture and LMA samples to enable identification of their compositions based on the measured ToF-SIMS spectra. This machine-learning-based analysis approach shows good performance in identifying characteristic ions of the analyzed compounds that fit well with their chemical nature. Moreover, satisfying accuracy in identifying the compositions of unseen new samples is achieved. In addition, the scope and limitations of such a strategy in practical applications are discussed. This work presents a robust analytical method that can assist researchers in simplifying the analysis of the studied lithium compound samples, offering the potential for broader applications in other material systems.