Microscopic Dynamics of Li<sup>+</sup>in Rutile TiO<sub>2</sub>Revealed by<sup>8</sup>Li β-Detected Nuclear Magnetic Resonance
Bibliographic record
Abstract
We report measurements of the dynamics of isolated 8 Li + in single crystal rutile TiO 2 using β-detected nuclear magnetic resonance. From spin–lattice relaxation and motional narrowing, we find two sets of thermally activated dynamics: one below 100 K and one at higher temperatures. At low temperature, the activation barrier is 26.8(6) meV with prefactor 1.23(5) × 10 10 s –1 . We suggest this is unrelated to Li + motion and rather is a consequence of electron polarons in the vicinity of the implanted 8 Li + that are known to become mobile in this temperature range. Above 100 K, Li + undergoes long-range diffusion as an isolated uncomplexed cation, characterized by an activation energy and prefactor of 0.32(2) eV and 1.0(5) × 10 16 s –1, respectively, in agreement with macroscopic diffusion measurements. These results in the dilute limit from a microscopic probe indicate that Li + concentration does not limit the diffusivity even up to high concentrations but that some key ingredient is missing in the calculations of the migration barrier. The anomalous prefactors provide further insight into both Li + and polaron motion.
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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".