Unleash the Capacity Potential of LiFePO<sub>4</sub> through Rocking‐Chair Coordination Chemistry
Bibliographic record
Abstract
Abstract There is still a considerable gap between the actual and theoretical capacities of the commercial cathode material LiFePO 4 (LFP) for lithium‐ion batteries (LIBs). Here, a new strategy to release the full capacity of LFP through the rocking‐chair coordination chemistry is reported. Specifically, the zinc acetate‐diethanolamine complex (Zn(OAc) 2 ·DEA) is used as a functional binder for the LFP cathode, where the N atom of DEA can coordinate with Zn 2+ , Fe 2+ , or Fe 3+ . The bond strength sequence is Fe 3+ –N > Zn 2+ –N > Fe 2+ –N, which makes the N atom swing between Fe 3+ on the surface of FePO 4 in the charged state and Zn 2+ of Zn(OAc) 2 in the discharged state. Density functional theory simulations reveal that the adsorption of DEA reduces the surface bandgap and the energy barriers of Li + diffusion along the [010] direction of LFP, which promotes electronic conduction and Li + diffusion, respectively. The Zn(OAc) 2 ·DEA‐based LFP electrode achieves a high capacity of 169 mAh g −1 at 0.2C, which approaches the theoretical value of 170 mAh g −1 . The electrode also has excellent cycling performance, showing a low capacity decay rate of 0.03% per cycle over 1500 cycles at 5C.
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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) | 0.000 | 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 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".