A theoretical study on surface reactivity of fluorinated (<i>n</i>,0) and (<i>n</i>,<i>n</i>) carbon nanotubes (<i>n</i> = 3–6)
Bibliographic record
Abstract
Density functional theory calculations are performed to investigate the surface reactivity of pristine as well as fluorine-terminated zigzag (n,0) and armchair (n,n) carbon nanotubes (n = 3–6). The properties determined include the electrostatic potential V(r) and average local ionization energy Ī(r) on the surfaces of the investigated tubes. A general feature of all of the systems studied is that stronger potentials are associated with regions of higher curvature. The results indicate that both V(r) and Ī(r) detect the effects of fluorine-terminated regions in which significant effects are observed for those atoms in the vicinity of the fluorine-terminated regions. Comparison with the Ī(r) of the pristine nanotube indicates correctly that in the fluorine-terminated models, the fluorine atoms tend to deactivate the surface toward electrophilic/radical attack.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.000 |
| Insufficient payload (model declined to judge) | 0.003 | 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".