Al<sub>12</sub>N<sub>12</sub> nanocage as a potential sensor for phosgene detection
Bibliographic record
Abstract
To find a novel sensor for phosgene molecules, phosgene adsorption on Al 12 N 12 nanocage was studied by using density functional calculations in terms of geometry, Gibbs free energy, energy gap, enthalpy changes, vibrational frequencies, work function, molecular electrostatic potential surface, and density of state analysis. It was found that the electronic properties of the Al 12 N 12 nanocage are very sensitive to the presence of phosgene molecules so that the energy gap of the nanocage is changed about 31% after the adsorption process. Based on calculated results, the Al 12 N 12 nanocage is expected to be a promising novel sensor for phosgene molecules without manipulating its structure through doping, chemical functionalization, etc.
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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 | 0.001 | 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".