Theory‐oriented Synthesis of 2D/2D BiVO<sub>4</sub>/MXene Heterojunction for Simultaneous Removal of Hexavalent Chromium and Methylene Blue
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 BiVO4/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 BiVO4. 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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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".