Synthesis and Characterization of a Molecularly Designed High‐Performance Organodisulfide as Cathode Material for Lithium Batteries
Bibliographic record
Abstract
Abstract An innovative organodisulfide compound, 2,3,4,6,8,9,10,12‐Octathia biscyclopenta[b,c]‐5,11‐anthraquinone‐1,7‐dithione (TPQD), has been successfully designed, synthesized, and characterized as a cathode material for lithium batteries. A benzoquinone is introduced to coordinate with dithiolane through 1,4‐dithianes. The molecular structure, electrochemical performances, and the lithiation/delithiation mechanism of the TPQD cathode have been systematically investigated. TPQD can deliver an initial capacity of 251.7 mAh g−1 at a rate of C/10, which corresponds to the transfer of 4.7 electrons per formula. Highly reversible capacities and stable cyclic performances can be achieved at rates from C/10 to 5 C. Very interestingly, TPQD can retain a capacity of 120 mAh g−1 after 200 cycles at the 5 C rate, which is quite impressive for organodisulfide compounds. X‐ray absorption spectroscopy measurements and density functional theory calculation results suggest that such a high capacity is contributed by both O redox of the quinone group and the cleavage and recombination of the disulfide bond. Moreover, the extended π‐conjugation structure of the material, introduced by benzoquinone and dithiane, is beneficial for improving the high rate capability and cyclic stability. This study illustrates an innovative approach in designing new organodisulfide compounds with improved cyclability and rate capability as cathode materials for high performance lithium 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".