Facile Critical Evaluation of Extensive Lithium–Oxygen Battery Literature Using In-House Data and the Structured Query Learning–Retrieval-Augmented Generation Method

Lithium-oxygen batteries (LOBs) offer combustion fuel-like energy densities but remain constrained by low efficiency, limited cycle life, and coupled degradation pathways linking the electrochemical growth and decay of the reaction product (Li<sub>2</sub>O<sub>2</sub>) and associated generation of reactive oxygen species, electrolyte and electrode instabilities, and lithium dendrite growth. Here, we introduce a hybrid materials-informatics framework that integrates structured query learning with retrieval-augmented generation (RAG) to systematically analyze the full-text corpus of 3134 peer-reviewed articles in LOBs. Unlike conventional <i>artificial intelligence (AI)</i> tools, which learn from unstructured literature and risk factual drift, the present approach forms a relational performance-validated database, enabling evidence-traceable comparison of cathode architectures, catalyst types, electrolytes, redox mediators, and lithium protection strategies. The analysis reveals composition-dependent performance hierarchies and exposes interdependencies among Li<sub>2</sub>O<sub>2</sub> morphology, singlet-oxygen formation, overpotentials, and solid electrolyte interface disruption, as reported under their documented experimental conditions. Using this method, we identified the catalyst-electrolyte-anode configurations capable of reducing charge polarization by 0.3-0.6 V and extending cycling stability to 100-200 cycles under standard cycling conditions reported in the source studies. This data-driven roadmap establishes a quantitative foundation for translating LOBs from laboratory demonstrations to deployable high-energy systems and demonstrates how materials informatics can accelerate electrochemical materials synthesis and device design.

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Publication Details

Journal
ACS Applied Materials & Interfaces
Published
2026-03-02
DOI
https://doi.org/10.1021/acsami.6c00201
Primary Topic
Advanced Battery Materials and Technologies
Type
article
Field-Weighted Citation Impact
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article

Facile Critical Evaluation of Extensive Lithium–Oxygen Battery Literature Using In-House Data and the Structured Query Learning–Retrieval-Augmented Generation Method

Venkataraman Thangadurai, Dawn Sivan, Rajan Jose, Yen-Jen Chen et al.
ACS Applied Materials & Interfaces
Advanced Battery Materials and Technologies
article

Facile Critical Evaluation of Extensive Lithium–Oxygen Battery Literature Using In-House Data and the Structured Query Learning–Retrieval-Augmented Generation Method

Venkataraman Thangadurai, Dawn Sivan, Rajan Jose, Yen-Jen Chen, Chun-Chen Yang
article en

Abstract

Lithium-oxygen batteries (LOBs) offer combustion fuel-like energy densities but remain constrained by low efficiency, limited cycle life, and coupled degradation pathways linking the electrochemical growth and decay of the reaction product (Li<sub>2</sub>O<sub>2</sub>) and associated generation of reactive oxygen species, electrolyte and electrode instabilities, and lithium dendrite growth. Here, we introduce a hybrid materials-informatics framework that integrates structured query learning with retrieval-augmented generation (RAG) to systematically analyze the full-text corpus of 3134 peer-reviewed articles in LOBs. Unlike conventional <i>artificial intelligence (AI)</i> tools, which learn from unstructured literature and risk factual drift, the present approach forms a relational performance-validated database, enabling evidence-traceable comparison of cathode architectures, catalyst types, electrolytes, redox mediators, and lithium protection strategies. The analysis reveals composition-dependent performance hierarchies and exposes interdependencies among Li<sub>2</sub>O<sub>2</sub> morphology, singlet-oxygen formation, overpotentials, and solid electrolyte interface disruption, as reported under their documented experimental conditions. Using this method, we identified the catalyst-electrolyte-anode configurations capable of reducing charge polarization by 0.3-0.6 V and extending cycling stability to 100-200 cycles under standard cycling conditions reported in the source studies. This data-driven roadmap establishes a quantitative foundation for translating LOBs from laboratory demonstrations to deployable high-energy systems and demonstrates how materials informatics can accelerate electrochemical materials synthesis and device design.

ACS Applied Materials & InterfacesVol. 18(9)
Universiti Malaysia Pahang Al-Sultan Abdullah (MY), Ming Chi University of Technology (TW), University of St Andrews (GB), Intelligent Energy (United Kingdom) (GB), Intelligent Health (United Kingdom) (GB), Artificial Intelligence in Medicine (Canada) (CA)
Openalex Percentile: Top 39%
Advanced Battery Materials and Technologies
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