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Record W2775154197 · doi:10.1021/acs.jpcc.7b10877

Captodative Substitution: A Strategy for Enhancing the Conductivity of Molecular Electronic Devices

2017· article· en· W2775154197 on OpenAlexafffund
Thijs Stuyver, Tao Zeng, Yuta Tsuji, Stijn Fias, Paul Geerlings, Frank De Proft

Bibliographic record

VenueThe Journal of Physical Chemistry C · 2017
Typearticle
Languageen
FieldEngineering
TopicMolecular Junctions and Nanostructures
Canadian institutionsCarleton University
FundersH2020 Marie Skłodowska-Curie ActionsVrije Universiteit BrusselJapan Society for the Promotion of ScienceKyushu UniversityNatural Sciences and Engineering Research Council of CanadaFonds Wetenschappelijk OnderzoekCarleton University
KeywordsSubstitution (logic)ConductivityMaterials scienceOhmic contactMoleculeBenzeneNanotechnologyChemical physicsComputer scienceChemistryOrganic chemistryPhysical chemistry

Abstract

fetched live from OpenAlex

We explore a new strategy to tune the conductivity of molecular electronic devices: captodative substitution. We demonstrate that a careful design of such substitution schemes on a benzene parental structure can enhance the conductivity by almost an order of magnitude under small bias. Once this new strategy has been established, we apply it to molecular wires and demonstrate that it enables the unprecedented anti-Ohmic design of wires whose conductivity increases with the length. Overall, the captodative substitution approach provides a very promising pathway toward full chemical control of the conductivity of molecules which opens up the possibility to design molecular switches with an improved on/off ratio among others.

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 score0.010
Threshold uncertainty score0.183

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 head0.011
GPT teacher head0.256
Teacher spread0.245 · 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

Citations44
Published2017
Admission routes2
Has abstractyes

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