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Record W4390227445 · doi:10.1021/acsnano.3c09476

Electronic Band Engineering of Two-Dimensional Kagomé Polymers

2023· article· en· W4390227445 on OpenAlexafffund
Dominik Dettmann, Polina M. Sheverdyaeva, Ehsan Hamzehpoor, Stefano Franchi, Gianluca Galeotti, Paolo Moras, Chiara Ceccarelli, Dmitrii F. Perepichka, Federico Rosei, G. Contini

Bibliographic record

VenueACS Nano · 2023
Typearticle
Languageen
FieldMaterials Science
TopicGraphene research and applications
Canadian institutionsMcGill UniversityInstitut National de la Recherche Scientifique
FundersNatural Sciences and Engineering Research Council of CanadaMinistero degli Affari Esteri e della Cooperazione InternazionaleGovernment of OntarioOntario Ministry of Research, Innovation and ScienceCanada Research ChairsRegione LazioUniversity of TorontoMinistero dell'Università e della RicercaCanada Foundation for Innovation
KeywordsMaterials scienceGrapheneDensity functional theoryBand gapChemical physicsElectronic structureAngle-resolved photoemission spectroscopyPhotoemission spectroscopyPolymerNanotechnologyCondensed matter physicsComputational chemistryOptoelectronicsX-ray photoelectron spectroscopyChemistryPhysics

Abstract

fetched live from OpenAlex

Two-dimensional conjugated polymers (2DCPs) are an emerging class of materials that exhibit properties similar to graphene yet do not have the limitation of zero bandgap. On-surface synthesis provides exceptional control on the polymerization reaction, allowing tailoring properties by choosing suitable monomers. Heteroatom-substituted triangulene 2DCPs constitute a playing ground for such a design and are predicted to exhibit graphene-like band structures with high charge mobility and characteristic Dirac cones in conduction or valence states. However, measuring these properties experimentally is challenging and requires long-range-ordered polymers, preferably with an epitaxial relationship with the substrate. Here, we investigate the electronic properties of a mesoscale-ordered carbonyl-bridged triphenylamine 2DCP (P 2 TANGO) and demonstrate the presence of a Dirac cone by combining angle-resolved photoemission spectroscopy (ARPES) with density functional theory (DFT) calculations. Moreover, we measure the absolute energy position of the Dirac cone with respect to the vacuum level. We show that the bridging functionality of the triangulene (ether vs carbonyl) does not significantly perturb the band structure but strongly affects the positioning of the bands with respect to the Au(111) states and allows control of the ionization energy of the polymer. Our results provide proof of the controllable electronic properties of 2DCPs and bring us closer to their use in practical applications.

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 score0.004
Threshold uncertainty score0.380

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 head0.264
Teacher spread0.253 · 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

Citations12
Published2023
Admission routes2
Has abstractyes

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