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Machine Learning in Solid-State Hydrogen Storage Materials: Challenges and Perspectives.

Panpan Zhou1,2, Qianwen Zhou2, Xuezhang Xiao2,3

  • 1College of Materials Science and Engineering, Hohai University, Changzhou, Jiangsu, 213200, China.

Advanced Materials (Deerfield Beach, Fla.)
|December 20, 2024
PubMed
Summary
This summary is machine-generated.

Machine learning (ML) accelerates the discovery of high-performance solid-state hydrogen storage materials (HSMs). This review details ML applications, challenges, and a roadmap for sustainable energy storage solutions.

Keywords:
high‐throughput material designhydrogen storage materialsmachine learningmechanism mining

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Area of Science:

  • Materials Science
  • Computational Chemistry
  • Energy Storage

Background:

  • High-performance solid-state hydrogen storage materials (HSMs) are critical for sustainable energy.
  • Machine learning (ML) offers powerful tools to overcome limitations in HSM research.
  • Key challenges include low storage capacity and difficult cycling conditions.

Purpose of the Study:

  • To review the current state of ML applications in solid-state hydrogen storage.
  • To identify challenges and propose solutions for ML in HSM research.
  • To outline a future roadmap for ML-driven HSM development.

Main Methods:

  • Literature review of ML models and datasets for HSMs.
  • Analysis of ML applications across various HSM classes (e.g., Ti-based, Mg-based).
  • Critical evaluation of data quality, availability, and model interpretability.

Main Results:

  • ML successfully addresses issues like low capacity and cycling conditions in HSMs.
  • Demonstrated ML's role in exploiting composition-structure-property relationships.
  • Highlighted a Ti-based HSM optimized for fuel cell applications via high-throughput screening.

Conclusions:

  • ML is a pivotal tool for designing novel HSMs.
  • Addressing data limitations and model interpretability is crucial for advancing ML in this field.
  • A strategic roadmap can enhance ML's impact on efficient and sustainable hydrogen storage.