Two-Dimensional Protective Layers of MX<sub>3</sub> to Stabilize Lithium and Sodium Metal Anodes
Bibliographic record
Abstract
The development of metal anodes is severely restricted by challenges such as dendrite growth, uncontrolled interface reactivity, and huge volume change in energy storage devices. Inserting ideal two-dimensional (2D) protective layers with matched mechanical performance and fast ionic transport character is an effective strategy to stabilize metal anodes. Herein, a family of 2D metal trihalides MX3 (ScCl3, ScBr3, ScI3, YCl3, YBr3, and YI3) with natural atomic pore structures have been explored to examine the protective performance for the Li (Na) metal anode by utilizing first-principles calculations. The theoretical results indicate that 2D MX3/Li (Na) systems are energetically stable by analyzing the binding energies. A Young’s modulus of ∼14.68–29.61 GPa and the high shear modulus of pristine 2D MX3 materials are suitable to ensure close contact and inhibit dendrite formation compared with conventional inorganic solid electrolytes. In addition, the introduction of metal anodes has a negative effect on the stiffness of the pristine 2D MX3. Nevertheless, critical strain can be achieved by about ∼12%. Furthermore, the energy barriers within ∼0.37–0.63 eV for ionic transport through monolayer MX3 at the MX3/Li (Na) interface demonstrate fast ionic transport. These theoretical results provide fundamental guidance for 2D MX3 materials with excellent mechanical performance and fast ionic transport as the ideal protective layers to achieve a high-performance Li (Na) metal anode in the relevant energy storage systems.
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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".