Stable nature of [BH4]− ions in deliquescence thin-film NaBH4 and humidity control of their decomposition toward hydrogen supply and storage application
Bibliographic record
Abstract
In this study, we investigated the deliquescence of NaBH 4 thin films under atmospheric conditions toward their hydrogen supply application. Upon exposed to air, the film deliquesced along with generating hydrogen due to the decomposition of [BH 4 ] - ions, but the decomposition rate was slow enough for a sizable amount of [BH 4 ] - ions remained stable in the deliquesced film. As a result, a reversible deliquescence-recrystallization cycle in the NaBH 4 thin film could be achieved through control of humidity. Molecular dynamics simulations suggested that Na + and [BH 4 ] - ions tended to neighbor each other with almost the same intra-distance as that in the crystal. A kind of such local ordered structures in deliquesced NaBH 4 may prevent an excess hydration and subsequent decomposition of [BH 4 ] - ions and is responsible for the stability of [BH 4 ] - ions, enabling the reversible deliquescence-recrystallization cycle. These combined experimental and theoretical insights offer new perspectives on controlling hydrogen release from borohydrides based on humidity conditions in the thin film form. • Deliquescence of NaBH 4 thin films on Si (100) substrates explored. • Raman spectra confirm prevalence of [BH 4 ] - ions in deliquesced state. • In-situ XRD reveals reversible recrystallization and deliquescence cycle. • MD simulations suggest local molecular-like structure prevents excess hydration. • Insights gained into controlled hydrogen release, offering novel borohydride applications.
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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 | 0.001 | 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".