Molecular ordering of glycine on Cu(100): The<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>p</mml:mi></mml:math>(2<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mo>×</mml:mo></mml:math>4) superstructure
Bibliographic record
Abstract
Glycine molecules deposited on a Cu(100) surface give rise to an anisotropic free-electron-like (FEL) electronic dispersion in its $p(2\ifmmode\times\else\texttimes\fi{}4)$ superstructure, as reported in recent experiments [K. Kanazawa et al., Phys. Rev. Lett. 99, 216102 (2007); J. Am. Chem. Soc. 129, 740 (2007)]. Using density functional theory and exhaustively calculating sixteen possible structures, we have determined the molecular arrangement that can give the experimentally observed FEL behavior. Eight configurations, among the sixteen, were not investigated before in the literature and one of them (denoted Str-3) is able to provide the FEL behavior in excellent agreement with the experiments. In addition, the particular configuration Str-3 satisfies other criteria of the observed $p(2\ifmmode\times\else\texttimes\fi{}4)$ superstructure, e.g., chirality and cleavable orientation.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.002 | 0.002 |
| Meta-epidemiology (broad) | 0.002 | 0.003 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.002 | 0.001 |
| Research integrity | 0.001 | 0.003 |
| Insufficient payload (model declined to judge) | 0.000 | 0.003 |
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; both teacher heads agree on what is shown here.
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".