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Updated: Mar 4, 2026
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Failure Analysis of Batteries Using Synchrotron-based Hard X-ray Microtomography
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Facile Critical Evaluation of Extensive Lithium-Oxygen Battery Literature Using In-House Data and the Structured
Dawn Sivan1,2,3, Yen-Jen Chen3,4, Chun-Chen Yang5,6
1Center for Advanced Intelligent Materials, Universiti Malaysia Pahang Al-Sultan Abdullah, 26300 Kuantan, Pahang, Malaysia.
ACS Applied Materials & Interfaces
|March 2, 2026
Summary
Researchers developed a hybrid materials-informatics framework to analyze lithium-oxygen batteries (LOBs). This AI approach accelerates the design of high-energy batteries by identifying optimal catalyst-electrolyte-anode configurations for improved performance and stability.
Area of Science:
- Materials Science
- Electrochemistry
- Artificial Intelligence
Background:
- Lithium-oxygen batteries (LOBs) promise high energy density but suffer from poor efficiency, short cycle life, and complex degradation mechanisms.
- Degradation involves lithium peroxide (Li2O2) growth, reactive oxygen species, electrolyte/electrode instability, and lithium dendrites.
Purpose of the Study:
- To create a hybrid materials-informatics framework for systematic analysis of LOB literature.
- To overcome limitations of conventional AI by building a performance-validated, evidence-traceable database.
Main Methods:
- Integrated structured query learning with retrieval-augmented generation (RAG) to analyze 3134 LOB research articles.
- Formed a relational database for comparing cathode architectures, catalysts, electrolytes, redox mediators, and lithium protection strategies.
Main Results:
- Revealed composition-dependent performance hierarchies and interdependencies between Li2O2 morphology, singlet oxygen, overpotentials, and solid electrolyte interface disruption.
- Identified catalyst-electrolyte-anode configurations reducing charge polarization by 0.3-0.6 V.
- Extended cycling stability to 100-200 cycles under reported conditions.
Conclusions:
- The data-driven roadmap provides a quantitative foundation for advancing LOBs from lab to deployment.
- Materials informatics accelerates electrochemical materials synthesis and device design for high-energy systems.
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