Hole‐Mediated Lattice Oxygen Redox Design for Perovskite Oxide Catalysts
Bibliographic record
Abstract
Abstract Present design and application of perovskite oxide catalysts assume lattice oxygen redox (LOR) mechanisms that depend on lattice oxygen activity without consideration of the entire redox cycle. Herein, using in situ characterizations and theoretical calculations, we uncover a hole‐mediated LOR cycle on p‐type Sr‐deficient SrFeO 3–δ (SFO‐Srv) perovskites in CO oxidation reaction. Sr vacancies activate surface lattice oxygen of SFO‐Srv and promote formation of highly covalent Fe (4–x)+ ‐O (2–x)– sites. In situ electrical conductivity measurement demonstrates that holes directly participate in the entire LOR cycle, and are reversibly consumed and regenerated in reducing/oxidizing atmosphere via Fe (4–x)+ ‐O (2–x)– sites of SFO‐Srv. Hole‐mediated LOR in SFO‐Srv, as revealed by in situ soft X‐ray absorption spectroscopy, occurs through changing in covalency of Fe−O bonds, O 2p hole state, and electron density of Fe sites. 18 O 2 labeling experiment further confirms an improved Mars–van Krevelen pathway in the hole‐mediated LOR cycle, which accounts for a ten‐times enhancement of SFO‐Srv for CO reaction rate over that of SFO alone.
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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".