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Record W2013764485 · doi:10.1002/pssa.201100472

Using steric constraints to template an organic array on Si(111)‐7 × 7

2012· article· en· W2013764485 on OpenAlexaff
A. B. McLean, Alfred J. Weymouth, Graham Edge, R. H. Miwa, G. P. Srivastava

Bibliographic record

Venuephysica status solidi (a) · 2012
Typearticle
Languageen
FieldEngineering
TopicMolecular Junctions and Nanostructures
Canadian institutionsQueen's University
FundersCentro Nacional de Processamento de Alto Desempenho em São PauloConselho Nacional de Desenvolvimento Científico e Tecnológico
KeywordsMesityleneSteric effectsMoleculeChemistryAb initioOverlayerChemical physicsCrystallographyAdsorptionInteraction energyDensity functional theoryComputational chemistryBenzeneStereochemistryPhysical chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract We show that the Si(111)‐7 × 7 surface reconstruction can be used to template an ordered array of 1,3,5‐trimethyl benzene (mesitylene) molecules. The disorder that normally derives from the multiplicity of admissible adsorption geometries, for small aromatic molecules on 7 × 7, is suppressed, and the molecules are found to occupy both halves of the 7 × 7 unit cell with equal probability. It is argued that a steric interaction, associated with the methyl groups, hinders nearest neighbor adsorption and this leads to the formation of an array that has the molecules at the corners of the 7 × 7 half unit cells. To understand the ordering kinetics we used: scanning tunneling microscopy to study site occupancy as a function of coverage, ab initio total energy calculation to study the stability of the attachment sites and kinetic Monte Carlo modeling to investigate the emergence of translational order in the overlayer. magnified image When two mesitylene molecules adsorb in nearest neighbor bridging geometries on the 7 × 7 reconstruction, the hydrogen atoms located on the methyl groups interact. To reduce the interaction energy, the molecules form an ordered array that places each molecule at the corner of the half cell.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.061
Threshold uncertainty score0.842

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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.

Opus teacher head0.026
GPT teacher head0.269
Teacher spread0.243 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations0
Published2012
Admission routes1
Has abstractyes

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