Investigations on Mechanisms of Ionic Transport and Phase Transition in Insertion Electrode Materials for Lithium/Sodium-Ion Batteries
Bibliographic record
Abstract
Insertion electrode materials are included in the majority of ambient-temperature Li/Na-ion batteries, which attract increasing attention in energy storage. Being a commercialized cathode material of Li ion battery, olivine LiFePO4 has undergone intensive research. Previously, the two-phase separation mechanism upon charging was well accepted, while recent experimental results indicates a more subtle atomic structure, lithium-staging, exists upon charging. We show that, through first-principles calculations, the observed lithium-staging configuration in partially delithiated LiFePO4is a kinetically controlled thermodynamically metastable state. Our results shed light on the interactions between electron and ion and hence may have general implications for investigating the ionic transport in other strongly correlated mixed conductor materials. [1] Spinel Li4Ti5O12 is well-known as a “zero-strain” anode for lithium-ion batteries. We found that it can also accommodate sodium ions, displaying an average storage voltage of 0.91V vs. Na+/Na. Through combined density functional theory calculations and scanning transmission electron microscope imaging techniques, a three-phase separation reaction, which has never been seen in any insertion electrode materials for lithium- or sodium-ion batteries, is confirmed in the sodiation process of Li4Ti5O12. Furthermore, interfacial structure is clearly resolved at an atomic scale in electrochemically sodiated Li4Ti5O12for the first time via the advanced electron microscopy. [2] Acknowledge: This work was supported by funding from the “863” Project (2009AA033101), “973” Projects (2013CB934002,2009CB220104) Reference: [1] Yang Sun, Xia Lu, Ruijuan Xiao, Hong Li, and Xuejie Huang. Chem. Mater. 24 (2012) 4693. [2] Yang Sun, Liang Zhao, Huilin Pan, Xia Lu, Lin Gu, Yong-Sheng Hu, Hong Li, Michel Armand, Yuichi Ikuhara, Liquan Chen and Xuejie Huang. Nat. Commun. 4 (2013) 1870
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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) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.002 | 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".