Tailoring the Microstructure of B‐Cation Octahedra in Halide Double Perovskites for Efficient Selective CO <sub>2</sub> ‐to‐CO Photoreduction
Bibliographic record
Abstract
Abstract Solar‐driven CO 2 photoreduction using halide perovskites (HPs) has recently garnered significant attention; however, the conversion efficiency remains suboptimal for practical applications. Here, using Cs 2 AgBiBr 6 double perovskites as a model photocatalyst, the interplay between the coordination of octahedral B‐cation sites and photocatalytic performance are reported. The results reveal that modulating the microstructure of octahedra in Cs 2 AgBiBr 6 enables orbital rehybridization, resulting in an upshifted d‐band center and reduced effective masses, thereby improving the adsorption strength of intermediates, lowering reaction energy barriers, and promoting charge separation. Experimentally, it is demonstrated that the tailored Cs 2 AgBiBr 6 achieves selective CO 2 photoreduction toward CO without sacrificial agents, yielding a CO generation rate of 23.73 µmol g −1 h −1 with ≈100% selectivity, 13‐fold higher than pristine Cs 2 AgBiBr 6 and outperforms most reported HP‐based photocatalysts. This work highlights microstructure modulation in HPs as an effective strategy for efficient solar‐to‐fuel conversion.
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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) | 0.000 | 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) | 0.000 | 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".