Electronic and Magnetic Properties of Co‐Decorated Molecular Organic Network Adsorbed on Graphene
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Bibliographic record
Abstract
Abstract First‐principles calculations based on density functional theory (DFT) are performed for investigating the electronic and magnetic properties of a heterostructure formed by Co‐decorated trimesic acid (TMA) self‐assembling network (SAN) adsorbed on graphene. The concentration and spatial position of Co adatom on graphene is regulated by the architecture of SAN. The obtained optimized geometry shows that Co adatom ends up at the top of a C atom on graphene in the heterostructure. The spin‐polarized calculations upon Co‐SAN/G, illustrate that Co adsorption on top site, which is favored by the self‐assembling network, causes an alternating change in the local density of states (LDOS) of graphene that consequently gives rise to sublattice symmetry‐breaking effects reflected in the different gap opening at K valleys. It is demonstrated that a single Co atom adsorbed on top of a C atom on graphene generates similar physical properties as Co‐SAN/G and, in fact, the SAN acts as a template for patterning Co on graphene without interfering with the magnetic properties originated from the adsorbate. Furthermore, Co atoms in the Co‐SAN/G structure, which are localized on just one sublattice type and separated by 10 Å in a triangular lattice, constitute ferromagnetically aligned spin centers.
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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 | 0.001 |
| 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)
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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 it