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April 12, 2026Applied Sciences0 citationsOpen Access

Domain-Knowledge-Guided Precursor Descriptors Enable Low-Characterization Prediction of Sodium Storage in Sulfur-Containing Biomass-Derived Hard Carbons

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CYChenghao YuJLJunxiao LiYJYanghao Jin

Key Points

  • This research aims to enhance the prediction of sodium storage capabilities in biomass-derived hard carbons using effective precursor descriptors.
  • Assembled a dataset of 101 records from 16 journal articles
  • Compared predictive value of precursor descriptors, process variables, and structural descriptors
  • Introduced domain-knowledge-guided precursor descriptors
  • Combined precursor and process descriptors achieved an R2 of 0.59, outperforming structural descriptors
  • Structural descriptor removal shifted predictive reliance toward precursor and process variables
  • Demonstrated the potential of accessible upstream descriptors for sodium storage prediction

Abstract

Biomass-derived sulfur-containing hard carbons are promising anode candidates for sodium-ion batteries, but cross-study optimization remains difficult because reported electrochemical performance reflects both synthesis history and incomplete or non-uniform structural characterization. Here, we assembled a focused literature-derived dataset of 101 records from 16 journal articles and compared the predictive value of three information sources: precursor descriptors, process variables, and measured structural descriptors. We further introduced domain-knowledge-guided precursor descriptors to encode interpretable aspects of precursor chemistry and architecture, including lignin-related richness, polysaccharide contribution, volatile tendency, precursor-component coupling, and post-treatment category. In controlled feature-set comparisons, the model combining precursor and process descriptors achieved an R2 of 0.59, outperforming the conventional combination of process and structural descriptors (R2 = 0.57) and remaining close to the full-information setting (R2 ≈ 0.61). Model interpretation further showed that, when structural descriptors were removed, predictive reliance shifted toward precursor and process variables, indicating that accessible upstream descriptors retain a meaningful fraction of the formation-pathway information relevant to sodium storage. These results should be interpreted within this curated sulfur-containing literature space rather than as a universal predictor, but they demonstrate that domain-knowledge-guided precursor encoding can support low-characterization, screening-oriented prediction and experimental prioritization.

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Cite This Study

Yu et al. (2026) studied this question.

synapsesocial.com/papers/69db37254fe01fead37c5220https://doi.org/10.3390/app16083706
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