High-Pressure Structures and Transformations of Calcium Borohydride Probed by Combined Raman and Infrared Spectroscopies
Bibliographic record
Abstract
Calcium borohydride (Ca(BH 4 ) 2 ) has attracted significant interest in recent years due to its strong potential for hydrogen storage applications. Here, we report the pressure-induced structural transformations of Ca(BH 4 ) 2 probed by combined Raman spectroscopy and infrared (IR) spectroscopy up to 10.4 GPa at room temperature. Starting with the α phase in an orthorhombic structure, Ca(BH 4 ) 2 was found to undergo several transformations upon compression, as evidenced by the sequential changes of characteristic Raman and IR modes as well as by examining the pressure dependences of these modes. In situ Raman and IR measurements collectively provided consistent information about the structural evolutions of Ca(BH 4 ) 2 under compression. Decompression measurements on Ca(BH 4 ) 2 suggest that the pressure-induced transformations are reversible in the entire pressure region. The combined Raman and IR data allowed for an in-depth analysis of possible high-pressure structures of Ca(BH 4 ) 2 .
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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".