Hidden Complexity in the TiO<sub>2</sub> to TiN Transformation Unveiled through Compositional Analysis
Bibliographic record
Abstract
Heteroanionic materials such as oxynitrides offer a unique platform for tailoring electronic and structural properties. In this work, titanium dioxide (TiO 2 ) was heated under ammonia (NH 3 ) gas to create titanium oxynitride (TiO x N y ) compounds. A combination of the indophenol blue method and thermogravimetric analysis (TGA) was used to quantitatively determine the composition of the bulk powder. These results were qualitatively confirmed by X-ray absorption spectroscopy (XAS), as the transition causes a reduction of Ti(IV) to Ti(III). The kinetics of transformation of TiO 2 was compared between several morphologies of oxide nanoparticles. While larger particles transformed more slowly than smaller particles, as expected, in all morphologies the transformation occurred via a two-step process, a fast transformation accompanied by a phase transition from the rutile TiO 2 to the halite TiN structure, followed by the gradual replacement of the remaining oxygen by nitrogen in a markedly slower process. Further insight into the mechanism of transformation was provided using extended X-ray absorption fine structure (EXAFS), which provides evidence that this transformation occurs through the presence of an amorphous intermediate phase. This work highlights the importance of accurately determining O/N ratios in bulk oxynitride samples for a deeper understanding of their chemistry and structure–property relationships.
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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 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| 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 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".