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Record W2604605950 · doi:10.1063/1.4979572

Electron transfer from the perspective of electron transmission: Biased non-adiabatic intermolecular reactions in the single-particle picture

2017· article· en· W2604605950 on OpenAlexafffund
Kirk H. Bevan

Bibliographic record

VenueThe Journal of Chemical Physics · 2017
Typearticle
Languageen
FieldEngineering
TopicMolecular Junctions and Nanostructures
Canadian institutionsMcGill University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsIntermolecular forceElectron transferParticle (ecology)Adiabatic processPerspective (graphical)ElectronTransmission (telecommunications)Chemical physicsMolecular physicsAtomic physicsPhysicsMaterials scienceChemistryQuantum mechanicsPhotochemistryComputer scienceMoleculeTelecommunications

Abstract

fetched live from OpenAlex

In this work, we revisit Hopfield's formulation of non-adiabatic electron transfer between uncorrelated redox species within the single-particle picture description of electron transmission commonly applied in solid-state systems. The formulation is applied to a model system, similar to that often found in solid-state electron tunneling studies, consisting of redox species separated by an insulating tunneling barrier. Redox tunneling across such an insulator is predicted to demonstrate a marked asymmetry, ranging from one to three orders of magnitude between forward and reverse bias electron transfer rates, when reactants possess dissimilar reorganization energies. This significant asymmetry is shown to arise from trapezoidal reshaping of the integrated Gamow tunneling barrier and corresponding transmission probability under an applied bias. In general, this work aims to further bridge concepts between the electron transfer and transport communities.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Theoretical or conceptual · Consensus signal: Theoretical or conceptual
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.002
Threshold uncertainty score0.006

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.001
Scholarly communication0.0010.002
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0020.000

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 head0.009
GPT teacher head0.225
Teacher spread0.216 · 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 source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designTheoretical or conceptual
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

Citations17
Published2017
Admission routes2
Has abstractyes

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