Branched intercalating cations regulate the structural evolution of two-dimensional perovskites
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Bibliographic record
Abstract
Two-dimensional metal halide perovskites (TMHPs) have emerged as prominent semiconductor materials in optoelectronic devices due to their composition-dependent properties. While previous research has concentrated on the types and the lengths of cations affecting TMHPs, our study systematically explores a new series of Dion-Jacobson (DJ)-phase TMHP structures featuring dithioketal-containing organic cations. Through X-ray crystallography and spectroscopy analyses, we demonstrate that steric hindrance from longer-branched groups distorts the structures and influences the photophysical behaviors of TMHPs. Additionally, we observe thermodynamically driven transitions from the DJ phase to the Ruddlesden-Popper (RP) phase when incorporating cations with extended branches, further impacting their structural and optoelectronic characteristics. Understanding and controlling these structural changes enable the design of TMHPs with tailored properties, opening avenues for advanced materials that enhance device performance.
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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 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| 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