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Record W4406151826 · doi:10.1016/j.orgel.2025.107195

Energy gap and orbital mixing in DNTT/PTCDI-C8 heterostructure

2025· article· en· W4406151826 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueOrganic Electronics · 2025
Typearticle
Languageen
FieldMaterials Science
TopicDiamond and Carbon-based Materials Research
Canadian institutionsUniversity of Ottawa
FundersNatural Sciences and Engineering Research Council of CanadaNational Research Foundation of Korea
KeywordsHeterojunctionMixing (physics)Band gapOptoelectronicsMaterials scienceChemistryHOMO/LUMOPhotochemistryPhysicsMoleculeQuantum mechanicsOrganic chemistry

Abstract

fetched live from OpenAlex

Organic pn heterostructures are widely employed in emerging devices. However, charge carrier behavior in these structures is not well understood, posing a difficulty in designing and optimizing devices in a systematic manner. In this article, finite-element simulation is used to reproduce and rationalize transfer characteristics of a thin-film transistor fabricated with DNTT/PTCDI-C8 heterostructure. Introducing the concept of orbital mixing enables a fit to the experimental data, providing insights into the role of energetic, transport, and interface parameters. Spatial distribution of charge carriers and electric potential inside the semiconductor channel suggests that the device performance is strongly affected by energetic barriers formed at metal/organic and organic/organic interfaces. Finally, the importance of discretization is illustrated by creating different meshes and analyzing their impact on simulated transfer characteristics. • DNTT/PTCDI-C8 thin film heterojunction is analyzed through numerical simulation • Physical, electrical and energetic factors affecting charge transport are identified • Modeling reproduces anti-ambipolar switching observed in fabricated transistors

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.

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 score0.003
Threshold uncertainty score0.655

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 head0.005
GPT teacher head0.232
Teacher spread0.227 · 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