A comprehensive data network for data-driven study of battery materials

IF 7.4 3区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Science and Technology of Advanced Materials Pub Date : 2024-12-31 DOI:10.1080/14686996.2024.2403328

Yibin Xu, Yen-Ju Wu, Huiping Li, Lei Fang, Shigenobu Hayashi, Ayako Oishi, Natsuko Shimizu, Riccarda Caputo, Pierre Villars

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引用次数: 0

Abstract

Data-driven material research for property prediction and material design using machine learning methods requires a large quantity, wide variety, and high-quality materials data. For battery materials, which are commonly polycrystalline, ceramics, and composites, multiscale data on substances, materials, and batteries are required. In this work, we develop a data network composed of three interlinked databases, from which we can obtain comprehensive data on substances such as crystal structures and electronic structures, data on materials such as chemical composition, structure, and properties, and data on batteries such as battery composition, operation conditions, and capacity. The data are extracted from research papers on solid electrolytes and cathode materials, selected by screening more than 330 thousand papers using natural language processing tools. Data extraction and curation are carried out by editors specialized in material science and trained in data standardization.

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用于电池材料数据驱动研究的综合数据网络

使用机器学习方法进行性能预测和材料设计的数据驱动型材料研究需要大量、多样和高质量的材料数据。电池材料通常是多晶体、陶瓷和复合材料，因此需要有关物质、材料和电池的多尺度数据。在这项工作中，我们开发了一个由三个相互关联的数据库组成的数据网络，从中可以获得晶体结构和电子结构等物质的综合数据，化学成分、结构和性能等材料的数据，以及电池组成、运行条件和容量等电池的数据。这些数据是从有关固体电解质和阴极材料的研究论文中提取的，使用自然语言处理工具筛选了 33 万多篇论文。数据提取和整理工作由材料科学领域的专业编辑完成，并接受过数据标准化方面的培训。

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来源期刊

Science and Technology of Advanced Materials 工程技术-材料科学：综合

CiteScore

10.60

自引率

3.60%

发文量

审稿时长

4.8 months

期刊介绍： Science and Technology of Advanced Materials (STAM) is a leading open access, international journal for outstanding research articles across all aspects of materials science. Our audience is the international community across the disciplines of materials science, physics, chemistry, biology as well as engineering. The journal covers a broad spectrum of topics including functional and structural materials, synthesis and processing, theoretical analyses, characterization and properties of materials. Emphasis is placed on the interdisciplinary nature of materials science and issues at the forefront of the field, such as energy and environmental issues, as well as medical and bioengineering applications. Of particular interest are research papers on the following topics: Materials informatics and materials genomics Materials for 3D printing and additive manufacturing Nanostructured/nanoscale materials and nanodevices Bio-inspired, biomedical, and biological materials; nanomedicine, and novel technologies for clinical and medical applications Materials for energy and environment, next-generation photovoltaics, and green technologies Advanced structural materials, materials for extreme conditions.