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Study on lithium storage in silicon species of Si-O-C materials

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Abstract

Lithium exchange mechanism, local structure, and its possible evolutions on lithium ion extraction and reinsertion are studied in Si-O-C materials. As the silicon distributions and microstructure change with the synthetic method, the relationship between the capacity and silicon structures is evaluated. By comparing derivative capacity curves of the ordinary anode materials composed of Si, C, or O, silicon species in terms of SiOnC4-n (1 ≤ n ≤ 4) are deduced to be the main source of lithium storage in Si-O-C materials. Of all the silicon species, SiOnC4-n (2 ≤ n ≤ 4) are confirmed to be reversible with lithium, but SiOC3 species be irreversible, by tracing the silicon structural changes during lithium insertion/distraction utilizing 29Si MAS NMR. Galvanostatic tests show the reversible capacity increases with the increase of the sum of SiOnC4-n (2 ≤ n ≤ 4) and decreases with the increase of SiOC3 content. Furthermore, a model is established to express the relationship between the capacity and silicon species. According to the model, 1 mol of SiO4, SiO3C, SiO2C2, or SiOC3 species can reversible deliver 3.0, 2.5, 0.5, or 0 mol of lithium ions, respectively. Applied to the reported data, the predictive capacities following the model agree well with the experimental values.

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Funding

The authors were financially supported by the National Science Foundation of China (51902343), Hunan Provincial Natural Science Foundation of China (2018JJ3595), and the Opening Project of State Key Laboratory of Advanced Chemical Power Sources (No. SKL-ACPS C16).

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Authors and Affiliations

  1. College of Aerospace Science and Engineering, National University of Defense Technology, Changsha, 410073, People’s Republic of China

    Chunman Zheng, Xiang Liu, Kai Xie & Yufang Chen

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  1. Chunman Zheng
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  2. Xiang Liu
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  3. Kai Xie
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  4. Yufang Chen
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Correspondence to Xiang Liu or Yufang Chen.

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Zheng, C., Liu, X., Xie, K. et al. Study on lithium storage in silicon species of Si-O-C materials. Ionics 26, 3853–3862 (2020). https://doi.org/10.1007/s11581-020-03555-z

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