Benefits and Limitations of 226 Substitutions into Li-La-Ti-O Perovskites
Bibliographic record
Abstract
Lithium lanthanum titanate solid electrolyte has high bulk conductivity and stability at high potentials but suffers from low grain boundary conductivity and instability at low potentials. In order to mitigate these two limitations, the effect of single partial substitutions on perovskite (Li-La-Ti-O) materials was studied. The X-ray diffraction patterns showed that numerous substituents enable pure-phase perovskite, a feat that could not previously be accomplished in the unsubstituted materials. Bond valence mismatch is used as a simple predictor of the substitution site and shows that remarkably high mismatches can be tolerated by the perovskite structure. The best substitutions had minimal impact on bulk conductivity but induced minor enhancements in the grain boundary conductivity. Some elements, such as Cr and Mn, increased the electronic conductivity producing good candidates for the electrolyte in the composite cathode for an all-solid-state battery. The electrochemical stability limits were also shifted either to higher or lower potentials by substitutions. Cr substitution resulted in the electrolyte becoming a cathode material with a highly reversible redox peak near 3.43 V (vs Li/Li + ). A thorough screening, therefore, yields a combination of materials (unsubstituted as the anode/electrolyte and Cr-substituted as the cathode) that represents a strong candidate for the elusive epitaxial battery, an ideal application of this class of materials given the very high bulk conductivities. Some substitutions also extended the low potential stability limit to below 1.5 V, a shift that would allow the use of Li 4 Ti 5 O 12 and Nb-based anodes without a buffer layer. Overall, this work shows to what extent the properties of LLTO perovskites can be tuned with substitution in order to meet various application requirements.
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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) | 0.000 | 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".