Elaborated Reaction Pathway of Photothermal Catalytic CO<sub>2</sub> Conversion with H<sub>2</sub>O on Gallium Oxide‐Decorated and ‐Defective Surfaces
Bibliographic record
Abstract
Abstract Ga2O3‐decorated and ‐defective surface models based on anatase TiO2 have been established. The thermodynamic reaction pathways, including protonation, deoxygenation and hydroxylation steps, during CO2 conversion with H2O to C1 products were calculated. The calculation results demonstrate that a Ga2O3 cocatalyst enhances the selective adsorption of CO2 and slightly weakens the competitive adsorption of H2O. The promotion effect of Ga2O3 on the subsequent reaction depends on the availability of protons and electrons. Free‐energy calculations revealed that the basic functional site generated by Ga2O3 not only suppresses the back reaction of the OH group after H2O directly provides protons but also maintains the surface defect oxygen vacancy (VO), which promotes the reaction thermodynamics but tends to be consumed in the process. Additionally, Ga2O3 decoration promotes VO formation, and the coexistence of Ga2O3 and VO further decreases the reaction rate‐determining step energy barrier, promoting C1 production.
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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".