Unraveling the Band Structure and Orbital Character of a π‐Conjugated 2D Graphdiyne‐Based Organometallic Network
Bibliographic record
Abstract
Abstract Graphdiyne‐based carbon systems generate intriguing layered sp – sp 2 organometallic lattices, characterized by flexible acetylenic groups connecting planar carbon units through metal centers. At their thinnest limit, they can result in 2D organometallic networks exhibiting unique quantum properties and even confining the surface states of the substrate, which is of great importance for fundamental studies. In this work, the on‐surface synthesis of a highly crystalline 2D organometallic network grown on Ag(111) is presented. The electronic structure of this mixed honeycomb‐kagome arrangement – investigated by angle‐resolved photoemission spectroscopy and scanning tunneling spectroscopy – reveals a strong electronic conjugation within the network, leading to the formation of two intense electronic band‐manifolds. In comparison to theoretical density functional theory calculations, it is observed that these bands exhibit a well‐defined orbital character that can be associated with distinct regions of the sp – sp 2 monomers. Moreover, it is found that the halogen by‐products resulting from the network formation locally affect the pore‐confined states, causing a significant energy shift. This work contributes to the understanding of the growth and electronic structure of graphdiyne‐like 2D networks, providing insights into the development of novel carbon materials beyond graphene with tailored properties.
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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".