Electronic structure of TiO2 nanotube arrays from X-ray absorption near edge structure studies
Bibliographic record
Abstract
We report an X-ray absorption near edge structure (XANES) investigation of several TiO2nanotube arrays, including the as-prepared nanotube arrays from electrochemical anodic oxidation of Ti foil (as-prepared ATNTA), as-prepared nanotube arrays after annealing at 580 °C (annealed ATNTA) and annealed ATNTA after electrochemical intercalation with Li (Li-intercalated ATNTA). XANES at the O K-edge and Ti L3,2 and K edges shows distinctly different spectral features for the as-prepared and the annealed ATNTA, characteristic of amorphous and anatase structures, respectively. Intercalation of Li into annealed ATNTA induces a surprising, yet spectroscopically unmistakable, anatase to rutile transition. XANES at the Li K-edge clearly shows ionic features of Li in ATNTA. The charge relocation from Ti 3d to O 2p at the conduction band in TiO2 was also observed when Li ions were intercalated into annealed ATNTA albeit no noticeable reduction of Ti4+ to Ti 3+ was observed. The O K-edge shows a distinctly enhanced feature in the multiple scattering regime, indicating a close to linear O–Li–O arrangement in Li-intercalated ATNTA. These results show bonding changes between Ti and O resulting from the interaction of Li ions in the TiO2 lattices. Such bonding variation has also been supported by X-ray excited optical luminescence (XEOL), which suggests Li+-defect interactions. The implications of these results are discussed.
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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) | 0.002 | 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".