Preferable single-atom catalysts enabled by natural language processing for high energy density Na-S batteries
Bibliographic record
Abstract
Employing appropriate single-atom (SA) catalysts in room-temperature sodium-sulfur (Na-S) batteries is propitious to promote the performance, whereas a universal designing strategy for the highly-efficient single-atom catalysts is absent. In this work, we adopt natural language processing techniques to screen the potential single-atom catalysts, then a binary descriptor is constructed to optimize the catalyst candidates. Atomically dispersed cobalt anchored to both nitrogen and sulfur atoms (SA Co-N/S) is selected as an ideal catalyst to significantly facilitate sulfur reduction reaction. The sulfur cathode catalyzed with SA Co-N/S almost realizes complete transformation, and the corresponding pouch cell exhibits satisfactory performance with high mass loading. In-situ X-ray absorption spectroscopy reveals the dynamical interactions between SA Co-N/S and sulfur species in the sulfur reduction reaction. Our work provides a method to select the preferable SA catalyst and to understand the interfacial catalysis dynamics in the sustainable Na-S systems. Employing appropriate catalysts in room-temperature sodium-sulfur batteries can significantly enhance performance. Here, authors utilize natural language processing techniques in conjunction with a binary descriptor to screen preferrable single-atom catalysts to achieve high specific capacity.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".