Structural evolution of dicarbon-silver cluster anions: from flat to 3-dimensional and from attached to core–shell
Bibliographic record
Abstract
Coinage-metal based nanocomposites and interfaces attract much attention due to a variety of technological applications in the areas of materials, catalysis, molecular electronics, etc. In particular, carbon-silver systems exhibit significant prospects for multiple practical uses. The reported study at a DFT level concentrates on such cluster anions with a diatomic carbon component and presents a variety of isomers evolving with size from planar to nonplanar geometries. Structures, stabilities, charge distributions, vertical electron-detachment energies and simulated IR spectra for C2Agn– (n = 4–17) are discussed, with dicarbon attached outside or inserted inside the silver entity. In particular, the spectra show two main bands associated with the relative motions of the carbon and silver parts as a whole and stretching vibration in C2. Their relative intensities are correlated with the structural features of the systems. A sequential mechanism is proposed for formation of the metastable core–shell C2Ag17– species (found to release the carbon core upon electron detachment). The results are believed to be accessible for experimental verification.
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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".