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Evaluation of the application of large language models in the entire process of battery research and development of a comprehensive database forinorganic solid electrolyte

WU Siyuan LI Hong

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Evaluation of the application of large language models in the entire process of battery research and development of a comprehensive database forinorganic solid electrolyte

WU Siyuan, LI Hong
cstr: 32037.14.aps.74.20250572
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  • The emergence of large language models has significantly advanced scientific research. Representative models such as ChatGPT and DeepSeek R1 have brought notable changes to the paradigm of scientific research. While these models are general-purpose, they have demonstrated strong generalization capabilities in the field of batteries, especially in solid-state battery research. In this study, we systematically screen 5309268 articles from key journals up to 2024, and accurately extract 124021 papers related to batteries. Additionally, we comprehensively search through 17559750 patent applications and granted patents from the European Patent Office and the United States Patent and Trademark Office up to 2024, identifying 125716 battery-related patents. Utilizing these extensive literature and patents, we conduct numerous experiments to evaluate the structured output capabilities of knowledge base, contextual learning, instruction adherence, and language models. Through multi-dimensional model evaluations and analyses, the following points are found. First, the model exhibits high accuracy in screening literature on inorganic solid-state electrolytes, equivalent to the level of a doctoral student in the relevant field. Based on 10604 data entries, the model demonstrates good recognition capabilities in identifying literature on in-situ polymerization/solidification technology. However, its understanding accuracy for this emerging technology is slightly lower than that for solid-state electrolytes, requiring further fine-tuning to improve accuracy. Second, through testing with 10604 data entries, the model achieves reliable accuracy in extracting inorganic ionic conductivity data. Third, based on solid-state lithium battery patents from four companies in South Korea and Japan over the past 20 years, this model proves effective in analyzing historical patent trends and conducting comparative analyses. Furthermore, the model-generated personalized literature reports based on the latest publications also show high accuracy. Fourth, by utilizing the iterative strategy of the model, we enable DeepSeek to engage in self-reflection thinking, thereby providing more comprehensive responses. The research results indicate that language models possess strong capabilities in content summarization and trend analysis. However, we also observe that the model may occasionally experience issues with numerical hallucinations. Additionally, while processing a large number of battery-related data, there is still room for optimization in engineering applications. According to the characteristics of the model and the above test results, we utilize the DeepSeek V3-0324 model to extract data on inorganic solid electrolyte materials, including 5970 ionic conductivity entries, 387 diffusion coefficient entries, and 3094 migration barrier entries. Additionally, it includes over 1000 data entries related to chemical, electrochemical, and mechanical properties, covering nearly all physical, chemical, and electrochemical properties related to inorganic solid electrolytes. This also means that the application of large language models in scientific research has shifted from auxiliary research to actively promoting its development. The datasets presented in this paper may be available at the website: https://cmpdc.iphy.ac.cn/literature/SSE.html (DOI: https://doi.org/10.57760/sciencedb.j00213.00172).
      Corresponding author: LI Hong, hli@iphy.ac.cn
    • Funds: Project supported by the National Key Research and Development Program of China (Grant No. 2022YFB2502200) and the National Natural Science Foundation of China (Grant No. 2239304).
    [1]

    ChatGPT Website https://chatgpt.com/

    [2]

    DeepSeek-AI 2025 arXiv: 2501.12948 [cs.CL]

    [3]

    Vaswani A, Shazeer N, Parmar N, Uszkoreit J, Jones L, Gomez A N, Kaiser L, Polosukhin I 2017 arXiv: 1706.03762 [cs.CL]

    [4]

    Radford A, Narasimhan K, Salimans K, Sutskever I 2018 OpenAI Blog

    [5]

    Devlin J, Chang M W, Lee K, Toutanova K 2018 arXiv: 1810.04805 [cs.CL]

    [6]

    Radford A, Wu J, Child R, Luan D, Amodei D, Sutskever I 2019 OpenAI Blog

    [7]

    Brown T B, Mann B, Ryder N, Subbiah M, Kaplan J, Dhariwal P, Neelakantan A, Shyam P, Sastry G, Askell A, Agarwal S, Herbert-Voss A, Krueger G, Henighan T, Child R, Ramesh A, Ziegler D M, Wu J, Winter C, Hesse C, Chen M, Sigler E, Litwin M, Gray S, Chess B, Clark J, Berner C, McCandlish S, Radford A, Sutskever I, Amodei D 2020 arXiv: 2005.14165 [cs.CL]

    [8]

    Wei J, Wang X Z, Schuurmans D, Bosma M, Ichter B, Xia F, Chi E, Le Q, Zhou D 2022 arXiv: 2201.11903 [cs.CL]

    [9]

    OpenAI o1 Hub https://openai.com/zh-Hans-CN/o1/

    OpenAI o1 Hub https://openai.com/zh-Hans-CN/o1/

    [10]

    Yang A, Yang B S, Hui B Y, Zheng B, Yu B W, Zhou C, Li C P, Li C Y, Liu D Y H, Huang F, Dong G T, Wei H R, Lin H, Tang J L, Wang J L, Yang J, Tu J H, Zhang J W, Ma J X, Xu J, Zhou J R, Bai J Z, He J Z, Lin J Y, Dang K, Lu K M, Chen K Q, Yang K X, Li M, Xue M F, Ni N, Zhang P, Wang P, Peng R, Men R, Gao R Z, Lin R J, Wang S J, Bai S, Tan S N, Zhu T H, Li T H, Liu T Y, Ge W B, Deng X D, Zhou X H, Ren X Z, Zhang X Y, Wei X P, Ren X C, Fan Y, Yao Y, Zhang Y C, Wan Y, Chu Y F, Cui Z Y, Zhang Z Y, Fan Z H 2024 arXiv: 2407.10671 [cs.CL]

    [11]

    Zeng A H, Xu B, Wang B W, Zhang C H, Yin D, Zhang D, Rojas D, Feng G Y, Zhao H L, Lai H Y, Yu H, Wang H N, Sun J D, Zhang J J, Cheng J L, Gui J Y, Tang J, Zhang J, Sun J Y, Li J Z, Zhao L, Wu L D, Zhong L C, Liu M D, Huang M L, Zhang P, Zheng Q K, Lu R, Duan S Q, Zhang S D, Cao S L, Yang S X, Tam W L, Zhao W Y, Liu X, Xia X, Zhang X H, Gu X T, Lü X, Liu X H, Liu X Y, Yang X Y, Song X X, Zhang X K, An Y F, Xu Y F, Niu Y L, Yang Y T, Li Y Y, Bai Y S, Dong Y X, Qi Z H, Wang Z Y, Yang Z, Du Z X, Hou Z Y, Wang Z H 2024 arXiv: 2406.12793 [cs.CL]

    [12]

    Gemini 2.5 Pro Gemini官网 https://gemini.google.com/app

    [13]

    Chen J L, Xiao S T, Zhang P T, Luo K, Lian D F, Liu Z 2024 arXiv: 2402.03216 [cs.CL]

    [14]

    MatElab平台https://in.iphy.ac.cn/eln/#/recusertype

    [15]

    Lewis P, Perez E, Piktus A, Petroni F, Karpukhin V, Goyal N, Küttler H, Lewis M, Yih W T, Rocktäschel T, Riedel S, Kiela D 2000 arXiv: 2005.11401 [cs.CL]

    [16]

    吴思远, 王宇琦, 肖睿娟, 陈立泉, 2020 物理学报 69 226104Google Scholar

    Wu S Y, Wang Y Q, Xiao R J, Chen L Q 2020 Acta Phys. Sin. 69 226104Google Scholar

    [17]

    离子输运数据库 http://e01.iphy.ac.cn/bmd

    [18]

    Xiao R J, Li H, Chen L Q 2015 Sci. Rep. 5 14227Google Scholar

    [19]

    He B, Chi S T, Ye A J, Mi P H, Zhang L W, Pu B W, Zou Z Y, Ran Y B, Zhao Q, Wang D, Zhang W Q, Zhao J T, Adams S, Avdeev M, Shi S Q 2020 Sci. Data 7 151Google Scholar

    [20]

    Yang F L, dos Santos E C, Jia X, Sato R, Kisu K, Hashimoto Y, Orimo S, Li H 2024 Nano Mater. Sci. 6 256Google Scholar

    [21]

    Hargreaves C J, Gaultois M W, Daniels L M, Watts E J, Kurlin V A, Moran M, Dang Y, Morris R, Axandra M, Thompson K, Wright M A, Beluvalli-Eshwarappa P, Blanc F, Collins C M, Crawford C A, Duff B B, Evans J, Gamon J, Han G P, Leube B T, Niu H J, Perez A J, Robinson A, Rogan O, Sharp P A, Shoko E, Sonni M, Thomas W J, Vasylenko A, Wang L, Rosseinsky M J, Dyer M S 2023 npj Comput. Mater. 9 9Google Scholar

    [22]

    Wu S Y, Zhu T N, Tu S J, Xiao R J, Yuan J, Wu Q S, Li H, Weng H M 2024 Chin. Phys. B 33 050704Google Scholar

    [23]

    无机固态电解质材料数据库https://cmpdc.iphy.ac.cn/literature/SSE.html

    [24]

    Zhang Y, Xie M X, Zhang W, Yan J L, Shao G Q 2020 Mater. Lett. 266 127508Google Scholar

    [25]

    Li Y X, Daikuhara S, Hori S, Sun X Y, Suzuki K, Hirayama M, Kanno R 2020 Chem. Mater. 32 8860Google Scholar

    [26]

    Xu R C, Wu Z, Zhang S Z, Wang X L, Xia Y, Xia X H, Huang X H, Tu J P 2017 Chem. Eur. J. 23 13950Google Scholar

    [27]

    Li X L, Peng W X, Tian R Z, Song D W, Wang Z Y, Zhang H Z, Zhu L Y, Zhang L Q 2020 Electrochim. Acta 363 137185Google Scholar

    [28]

    Wu F, Fitzhugh W, Ye L H, Ning J X, Li X 2018 Nat. Commun. 9 4037Google Scholar

  • 图 1  本工作主要考核目标(左侧)与设计的实验(右侧)

    Figure 1.  The main assessment objectives (left) and the designed experiment (right) of this work.

    图 2  DeepSeek R1, ChatGPT o3 min和Gemini 2.0对同样内容的总结比较

    Figure 2.  Comparison of summaries generated by DeepSeek R1, ChatGPT o3 min, and Gemini 2.0 on the same content.

    图 3  DeepSeek R1分析日韩4家企业过去20年固态电池专利

    Figure 3.  Analysis of solid-state battery patents from four Japanese and South Korean companies over the past 20 years by DeepSeek R1

    图 4  DeepSeek R1分析每日电池文献(左图)和电池新闻(右图)

    Figure 4.  Analysis of solid-state battery literatures (left subfigure) and news (right subfigure) by DeepSeek R1.

    图 5  DeepSeek R1 70B未挂载知识库(左图)和挂载知识库(右图)在回答同一问题的差异

    Figure 5.  DeepSeek R1 70B without knowledge base mounted (left) and with knowledge base mounted (right) showing differences in responses to the same question.

    图 6  DeepSeek R1 70B Deep Research流程(左图)和优化后输出(右图)

    Figure 6.  Workflow of deep research of DeepSeek R1 70B (left) and answer by it (right).

    图 7  无机固态电解质数据库构建流程

    Figure 7.  Workflow of constructing inorganic solid electrolyte database.

    表 1  无机固态电解质文献分类准确性

    Table 1.  Accuracy of literature classification for inorganic solid electrolytes.

    MatElab模型 DeepSeek R1 QwQ 32B
    精确性 0.859 0.883 0.781
    召回率 0.850 0.823 0.827
    F1 0.854 0.854 0.801
    DownLoad: CSV

    表 2  原位固化技术文献分类准确性

    Table 2.  Accuracy of literature classification for in-situ solidification technology.

    微调后的Qwen2-7B-Instruct DeepSeek R1
    精确性 0.406 0.950
    召回率 0.833 0.653
    F1 0.576 0.774
    DownLoad: CSV
  • [1]

    ChatGPT Website https://chatgpt.com/

    [2]

    DeepSeek-AI 2025 arXiv: 2501.12948 [cs.CL]

    [3]

    Vaswani A, Shazeer N, Parmar N, Uszkoreit J, Jones L, Gomez A N, Kaiser L, Polosukhin I 2017 arXiv: 1706.03762 [cs.CL]

    [4]

    Radford A, Narasimhan K, Salimans K, Sutskever I 2018 OpenAI Blog

    [5]

    Devlin J, Chang M W, Lee K, Toutanova K 2018 arXiv: 1810.04805 [cs.CL]

    [6]

    Radford A, Wu J, Child R, Luan D, Amodei D, Sutskever I 2019 OpenAI Blog

    [7]

    Brown T B, Mann B, Ryder N, Subbiah M, Kaplan J, Dhariwal P, Neelakantan A, Shyam P, Sastry G, Askell A, Agarwal S, Herbert-Voss A, Krueger G, Henighan T, Child R, Ramesh A, Ziegler D M, Wu J, Winter C, Hesse C, Chen M, Sigler E, Litwin M, Gray S, Chess B, Clark J, Berner C, McCandlish S, Radford A, Sutskever I, Amodei D 2020 arXiv: 2005.14165 [cs.CL]

    [8]

    Wei J, Wang X Z, Schuurmans D, Bosma M, Ichter B, Xia F, Chi E, Le Q, Zhou D 2022 arXiv: 2201.11903 [cs.CL]

    [9]

    OpenAI o1 Hub https://openai.com/zh-Hans-CN/o1/

    OpenAI o1 Hub https://openai.com/zh-Hans-CN/o1/

    [10]

    Yang A, Yang B S, Hui B Y, Zheng B, Yu B W, Zhou C, Li C P, Li C Y, Liu D Y H, Huang F, Dong G T, Wei H R, Lin H, Tang J L, Wang J L, Yang J, Tu J H, Zhang J W, Ma J X, Xu J, Zhou J R, Bai J Z, He J Z, Lin J Y, Dang K, Lu K M, Chen K Q, Yang K X, Li M, Xue M F, Ni N, Zhang P, Wang P, Peng R, Men R, Gao R Z, Lin R J, Wang S J, Bai S, Tan S N, Zhu T H, Li T H, Liu T Y, Ge W B, Deng X D, Zhou X H, Ren X Z, Zhang X Y, Wei X P, Ren X C, Fan Y, Yao Y, Zhang Y C, Wan Y, Chu Y F, Cui Z Y, Zhang Z Y, Fan Z H 2024 arXiv: 2407.10671 [cs.CL]

    [11]

    Zeng A H, Xu B, Wang B W, Zhang C H, Yin D, Zhang D, Rojas D, Feng G Y, Zhao H L, Lai H Y, Yu H, Wang H N, Sun J D, Zhang J J, Cheng J L, Gui J Y, Tang J, Zhang J, Sun J Y, Li J Z, Zhao L, Wu L D, Zhong L C, Liu M D, Huang M L, Zhang P, Zheng Q K, Lu R, Duan S Q, Zhang S D, Cao S L, Yang S X, Tam W L, Zhao W Y, Liu X, Xia X, Zhang X H, Gu X T, Lü X, Liu X H, Liu X Y, Yang X Y, Song X X, Zhang X K, An Y F, Xu Y F, Niu Y L, Yang Y T, Li Y Y, Bai Y S, Dong Y X, Qi Z H, Wang Z Y, Yang Z, Du Z X, Hou Z Y, Wang Z H 2024 arXiv: 2406.12793 [cs.CL]

    [12]

    Gemini 2.5 Pro Gemini官网 https://gemini.google.com/app

    [13]

    Chen J L, Xiao S T, Zhang P T, Luo K, Lian D F, Liu Z 2024 arXiv: 2402.03216 [cs.CL]

    [14]

    MatElab平台https://in.iphy.ac.cn/eln/#/recusertype

    [15]

    Lewis P, Perez E, Piktus A, Petroni F, Karpukhin V, Goyal N, Küttler H, Lewis M, Yih W T, Rocktäschel T, Riedel S, Kiela D 2000 arXiv: 2005.11401 [cs.CL]

    [16]

    吴思远, 王宇琦, 肖睿娟, 陈立泉, 2020 物理学报 69 226104Google Scholar

    Wu S Y, Wang Y Q, Xiao R J, Chen L Q 2020 Acta Phys. Sin. 69 226104Google Scholar

    [17]

    离子输运数据库 http://e01.iphy.ac.cn/bmd

    [18]

    Xiao R J, Li H, Chen L Q 2015 Sci. Rep. 5 14227Google Scholar

    [19]

    He B, Chi S T, Ye A J, Mi P H, Zhang L W, Pu B W, Zou Z Y, Ran Y B, Zhao Q, Wang D, Zhang W Q, Zhao J T, Adams S, Avdeev M, Shi S Q 2020 Sci. Data 7 151Google Scholar

    [20]

    Yang F L, dos Santos E C, Jia X, Sato R, Kisu K, Hashimoto Y, Orimo S, Li H 2024 Nano Mater. Sci. 6 256Google Scholar

    [21]

    Hargreaves C J, Gaultois M W, Daniels L M, Watts E J, Kurlin V A, Moran M, Dang Y, Morris R, Axandra M, Thompson K, Wright M A, Beluvalli-Eshwarappa P, Blanc F, Collins C M, Crawford C A, Duff B B, Evans J, Gamon J, Han G P, Leube B T, Niu H J, Perez A J, Robinson A, Rogan O, Sharp P A, Shoko E, Sonni M, Thomas W J, Vasylenko A, Wang L, Rosseinsky M J, Dyer M S 2023 npj Comput. Mater. 9 9Google Scholar

    [22]

    Wu S Y, Zhu T N, Tu S J, Xiao R J, Yuan J, Wu Q S, Li H, Weng H M 2024 Chin. Phys. B 33 050704Google Scholar

    [23]

    无机固态电解质材料数据库https://cmpdc.iphy.ac.cn/literature/SSE.html

    [24]

    Zhang Y, Xie M X, Zhang W, Yan J L, Shao G Q 2020 Mater. Lett. 266 127508Google Scholar

    [25]

    Li Y X, Daikuhara S, Hori S, Sun X Y, Suzuki K, Hirayama M, Kanno R 2020 Chem. Mater. 32 8860Google Scholar

    [26]

    Xu R C, Wu Z, Zhang S Z, Wang X L, Xia Y, Xia X H, Huang X H, Tu J P 2017 Chem. Eur. J. 23 13950Google Scholar

    [27]

    Li X L, Peng W X, Tian R Z, Song D W, Wang Z Y, Zhang H Z, Zhu L Y, Zhang L Q 2020 Electrochim. Acta 363 137185Google Scholar

    [28]

    Wu F, Fitzhugh W, Ye L H, Ning J X, Li X 2018 Nat. Commun. 9 4037Google Scholar

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  • Received Date:  29 April 2025
  • Accepted Date:  20 June 2025
  • Available Online:  23 June 2025
  • Published Online:  20 August 2025
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