Efficient Synthesis and Characterization of Robust MoS<sub>2</sub> and S Cathode for Advanced Li–S Battery: Combined Experimental and Theoretical Studies
Bibliographic record
Abstract
Here, we report that in situ MoS2 and S cathodes (MGC) prepared by simple decomposition of (NH4)2MoS4 facilitate direct formation of Li2S and suppress the long-term problem associated with polysulphide shuttling in Li–S batteries. For comparison, we prepared ex situ MoS2 and S cathodes (EMS) with a similar S/MoS2 mole ratio to that of in situ-prepared cathodes. Discharge capacity of EMS cathodes dropped by 80% after first few cycles, while assembled MGC cells demonstrated an initial discharge capacity of 1649 mA h/g, achieving close to theoretical capacity of elemental sulfur (1675 mA h/g) at C/3 and a reversible capacity of 1500 mA h/g was obtained in further cycles. The MoS2 nanostructure evolution after initial discharge helped in extending the cycle life of assembled cells even at a high C rate. Density functional theory (DFT) calculation was performed to understand the structural stability of intermediate MoS3 and possible electrochemical reactions pertaining to Li+ insertion in MoS2 and S. Based on DFT studies, MoS3 undergoes stoichiometric decomposition to stable MoS2 and S. Furthermore, electrochemical analysis confirmed the redox activity of MoS2 and S at 1.3 and 1.8 V against Li/Li+, respectively.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 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) | 0.000 | 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 teacher head, 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".