Suppressing the shuttle effect in lithium‐sulphur batteries by defective single‐walled <scp>ZnO</scp> nanotube: A <scp>DFT</scp> study
Bibliographic record
Abstract
Abstract Lithium‐sulphur batteries are regarded as one of the most potential energy storage systems with high energy density. However, the shuttle effect still limits the development of lithium‐sulphur batteries. The single‐walled zinc oxide nanotube is a one‐dimensional material that can be used as the anchoring material of lithium‐sulphur batteries. In this work, the anchoring performance of pristine single‐walled zinc oxide nanotube and defective single‐walled zinc oxide nanotube to polysulfides were studied by density functional theory, including adsorption energy, charge transfer, the highest occupied molecular orbital, and the lowest unoccupied molecular orbital levels. The results show that a single‐walled zinc oxide nanotube with three oxygen vacancies has the strongest adsorption ability and the highest conductivity. Our work provides a theoretical basis for single‐walled zinc oxide nanotubes to adsorb polysulfides. Single‐walled zinc oxide nanotubes can be used as a potential anchoring material to modify the cathode and separator to improve the cycle stability of lithium‐sulphur batteries.
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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 | 0.000 |
| 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".