Elucidation of the Structural Origins and Contrasting Guest–Host Interactions in CO<sub>2</sub>‐Loaded CdSDB and PbSDB Metal–Organic Frameworks at High Pressures
Bibliographic record
Abstract
Abstract PbSDB and CdSDB (SDB=4,4′‐sulfonyldibenzoate) are two structurally related SDB‐based metal–organic frameworks (MOFs) that demonstrate promising potential for selective CO2 adsorption capabilities. The structural stabilities and guest–host interactions between CO2 and PbSDB or CdSDB frameworks at high pressures up to 13 GPa in situ were comparatively investigated by Raman spectroscopy, FTIR spectroscopy, and synchrotron X‐ray diffraction. Although both empty frameworks exhibited high chemical stabilities upon compression, they show different pressure‐induced modifications in crystallinity. This difference can be attributed to their different coordination topologies that result in near isotropic contraction of unit cells for the CdSDB framework but anisotropic for the PbSDB framework. Furthermore, the CO2‐loaded PbSDB and CdSDB frameworks at high pressures show strongly contrasting guest–host interactions in terms of the pressure‐regulated CO2 adsorption sites. In both frameworks, pressure can highly efficiently promote the formation of new CO2 adsorption sites and the enhancement of guest–host interactions. In the CO2‐loaded PbSDB framework, in particular, the peculiar pressure‐tuned CO2 population was observed preferentially on one of the two adsorption sites in response to external compression. These unique guest–host interaction behaviors can also be unambiguously correlated to their different topological origins. These findings for the PbSDB and CdSDB frameworks provide in‐depth understanding of the structure–property relationship, which is of fundamental importance for CO2 storage application in SDB‐based MOFs.
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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".