Direct Atomic-Scale Observation of Redox-Induced Cation Dynamics in an Oxide-Supported Monolayer Catalyst: WO<sub><i>x</i></sub>/α-Fe<sub>2</sub>O<sub>3</sub>(0001)
Bibliographic record
Abstract
For the case of one-third of a monolayer of tungsten grown by atomic layer deposition on a hematite alpha-Fe(2)O(3)(0001) surface, we report direct atomic-scale observations of the structural and chemical changes that occur as this model interfacial system evolves from the as-deposited state to the oxidized state, then to the reduced state, and finally back to the oxidized state. In situ X-ray standing-wave atomic images relative to the hematite lattice show dramatic (but redox-reversible) changes to the W cation locations with respect to the occupied and unoccupied Fe surface sites. These structural changes are concurrent with X-ray photoelectron spectroscopy chemical shift changes, where W is observed to go from the 6+ to 5+ oxidation state. These novel observations of redox-induced cation dynamics in an oxide-supported catalyst are explained by models that account for W incorporation at the interface in Fe sites with various coordination schemes. Our proposed structure models are supported by our X-ray absorption fine structure measurements.
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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".