Oligothiophene Template Effects on Packings and Orientations of C<sub>60</sub> Molecules on Ag(111) Surface
Bibliographic record
Abstract
The packing conformations of sexithiophene (6T) and the orientations of the C<sub>60</sub> molecules on top of the preadsorbed 6T monolayer on Ag(111) surface have been investigated by the molecular dynamics simulations (on the basis of molecular mechanics) in conjunction with quantum mechanics calculations of the relative strength of intermolecular and interfacial interactions. It is demonstrated that the flat-lying oligothiophene (<i>n</i>T, <i>n</i> = 4 and 6) monolayer is formed on the Ag(111) surface, and the arrangement of 6T molecules is more ordered than that in 4T film. It is also shown that the underlying 6T stripes make C<sub>60</sub> molecules aggregate in chainlike arrays on the 6T covered Ag(111) surface, showing significant template effects on the directed self-assembly of C<sub>60</sub> cages. For the absorbed C<sub>60</sub> molecule on the 6T prepatterned Ag(111) surface, four typical orientations, hexagon, pentagon, 6:6 bond, and 5:6 bond, are found to appear with populations of 26.3%, 2.7%, 37.5%, and 18.8%, respectively. When the deposition order is changed, the 6T stripes are shown to tilt with corrugation on the underlying C<sub>60</sub> carpet, revealing the important role of the deposition order in modulation of the ordered supramolecular nanostructures.
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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) | 0.003 | 0.001 |
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".