Self‐Recovery of Carbonate‐Contaminated Strontium Titanate (100) Vicinal Surfaces Imaged by Tip‐Enhanced Raman Spectroscopy
Bibliographic record
Abstract
Abstract Strontium titanate (SrTiO 3 ) as a model perovskite has significant applications in catalysis, carbon capture, and advanced electronics. On SrO‐terminated (100) surfaces, carbon dioxide (CO 2 ) is a common chemisorption, altering the electronic and chemical properties. This study employed tip‐enhanced Raman spectroscopy (TERS) and density functional theory (DFT) simulations to explore this CO 2 chemisorption. The (100) surface of SrTiO 3 exhibits two distinct terminations, SrO and TiO 2 with nominally almost the same heights (0.2 nm). Height scans of hydrothermally treated (100) SrTiO 3 , show values closer to 0.3 and 0.1 nm, where we attribute the difference in height to the selective adsorption of ambient CO 2 on one of the terminations. The TERS analysis shows the presence of a 1071 cm −1 Raman peak (characteristic of carbonate vibration), localized exclusively at the SrO terrace, confirming that CO 2 preferentially adsorbs onto SrO. Both experimental and DFT results indicate that this CO 2 monolayer alters the binding energy between the SrO and TiO 2 terminations. This leads to spontaneous yet slow delamination of SrO and the emergence of SrCO 3 nanograins on a purely TiO 2 ‐terminated crystal surface. The interpretation is in quantitative agreement with respective volumes of layers and grains throughout the process.
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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 | 0.001 |
| Open science | 0.001 | 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 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".