Theory‐oriented Synthesis of 2D/2D BiVO<sub>4</sub>/MXene Heterojunction for Simultaneous Removal of Hexavalent Chromium and Methylene Blue
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Bibliographic record
Abstract
Abstract Precise catalyst discovery by theoretical calculation is currently providing novel and promising approach to fine design and fabricate efficient photocatalysts. We demonstrated a possibility of designing 2D/2D BiVO 4 /MXene heterojunction with excellent charge separation efficiency by density functional theory (DFT) and realized the preparation by hydrothermal method based on the theoretical results. As expected, the as‐constructed composites exhibited an unprecedented photocatalytic activity for simultaneous removal of hexavalent chromium (83.6 %) and methylene blue (88.7 %) within 120 minutes under visible light by photogenerated electrons and holes respectively, which were 2.17‐ and 3.67‐times compared with pristine BiVO 4 . This significant improvement is ascribed to the strong interfacial interaction within the unique 2D/2D heterojunction, which greatly improves the lifetime of charge carriers by reducing the recombination and shortening the transmission distance. The present work demonstrates a good example to firstly design reasonable catalyst by theoretical calculation and then efficiently improve the activity for environment remediation by solar‐light driven photocatalysis.
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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 | 0.001 |
| 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 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| 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 it