How Do Structurally Distinct Au/α‐Fe<sub>2</sub>O<sub>3</sub> Interfaces Determine Surface OH/H<sub>2</sub>O reactivity, Intermediate Evolution, and Product Formation in Low‐temperature Water‐gas Shift Reaction?
Bibliographic record
Abstract
Abstract Three structurally distinct interfaces, i. e. Au/α‐Fe 2 O 3 ‐THB‐Air, Au/α‐Fe 2 O 3 ‐HS‐Air, and Au/α‐Fe 2 O 3 ‐QC‐Air, with the major substrate facet being {113}, {001}, and {012} respectively, were controllably prepared. The low temperature water gas shift (WGS) reaction (100–260 °C) was applied to these unique systems to reveal how these structurally distinct interfaces can impact on the reaction behavior. With the detailed performance evaluation plus the characterizations of CO‐TPSR, XPS, and in situ‐FTIR in particular, the correlations between the evolution of different intermediates and the distinct catalytic behaviors have been established. The substrate facet structure and the Au entity largely determine the form and reactivity of surface OH/H 2 O species which in turn determine the formation of different intermediates and eventually the product formation. The Au/α‐Fe 2 O 3 ‐THB‐Air is enriched with oxygen vacant sites, favorable for dissociative adsorption of H 2 O, carboxyl intermediate formation and H 2 production. The Au/α‐Fe 2 O 3 ‐HS‐Air is enriched with surface lattice oxygen, favorable for molecular adsorption of H 2 O, formate intermediate formation, and CO 2 production. The Au/α‐Fe 2 O 3 ‐QC‐Air interface is enriched with surface Fe sites, favorable for dissociative adsorption of H 2 O and evolution of stable carboxyl intermediate as well as isolated OH species at low reaction temperatures. The findings are informative to control the interfacial structure for the WGS and other reactions.
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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) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.002 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.000 | 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".