Adsorption of Metallic, Metalloidic, and Nonmetallic Adatoms on Two-Dimensional C<sub>3</sub>N
Bibliographic record
Abstract
Two-dimensional polyaniline with a C 3 N stoichiometry is a newly fabricated material that is expected to possess fascinating electronic, thermal, mechanical, and chemical properties. The possibility of further tuning the C 3 N properties upon the adsorption of foreign adatoms is thus among the most attractive research. We carried out extensive ab initio density functional theory simulations to investigate the adsorption of various elements including nonmetallic, metalloidic, and metallic elements on the C 3 N monolayer. While pristine C 3 N acts as a semiconductor with an indirect electronic band gap; the functionalization with nonmetallic and semimetallic elements leads to a p-type doping and induces metallic behavior to the monolayer. On the contrary, metallic adsorption depending on the adatom size and the number of valence electrons may result in semiconducting, half-metallic, or metallic properties. Whenever metallic foreign atoms conduct metallic characteristics, they mostly lead to the n-type doping by electron donation to the surface. Moreover, adsorption of transition metals could enhance the magnetic behavior of the monolayer due to the contribution of d electronic states. These results suggest that C 3 N illustrates viable electromagnetic properties that could be promising for semiconducting, nanosensor, and catalytic 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 | 0.001 | 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".