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Record W3191347814 · doi:10.1002/adom.202100730

Self‐Aligned Non‐Centrosymmetric Conjugated Molecules Enable Electro‐Optic Perovskites

2021· article· en· W3191347814 on OpenAlexaff
Yuan Gao, K. A. Niradha Sachinthani, Chao Zheng, Charlie Jarrett‐Wilkins, Andrew Johnston, Meng‐Jia Sun, Amin Morteza Najarian, Ya‐Kun Wang, Makhsud I. Saidaminov, F. Pelayo Garcı́a de Arquer, Dwight S. Seferos, Sjoerd Hoogland, Edward H. Sargent

Bibliographic record

VenueAdvanced Optical Materials · 2021
Typearticle
Languageen
FieldEngineering
TopicPerovskite Materials and Applications
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsMaterials sciencePolingPerovskite (structure)MoleculeThermal stabilityDipoleOptoelectronicsDensity functional theoryChromophoreConjugated systemHalideNanotechnologyChemical physicsPolymerChemical engineeringFerroelectricityPhotochemistryCrystallographyComputational chemistryInorganic chemistryDielectricOrganic chemistryChemistryComposite material

Abstract

fetched live from OpenAlex

Abstract Solution‐processed organic electro‐optic (EO) chromophores are well suited for integration in optical modulators on silicon photonics chips. They contain highly conjugated molecules with polar functional groups offering large dipoles and a large nonlinear optical response. However, these molecules form centrosymmetric aggregates that hinder poling efficiency and the resultant macroscopic EO response. Furthermore, at elevated temperatures, the alignment of poled molecules can be lost, leading to a reduction in the EO response. Inorganic EO materials exhibit excellent thermal stability but lower performance. Here 2D metal halide perovskite scaffolds that align EO molecules are reported. The approach heralds a material design strategy that combines the features of organic and inorganic EO materials. The EO material exhibits promising thermal stability with a performance approaching that of organic EO materials. Anchor diammonium non‐centrosymmetric molecules are anchored inside a 2D metal halide perovskite scaffold, thereby avoiding aggregation. The authors lever the thermal stability of this compound and pole the organic molecules under an electric field at 533 K. The 2D perovskites exhibit a macroscopic EO coefficient of 68 pm V−1—a twofold increase over LiNbO3. Density functional theory calculations show that the in‐plane alignment of the molecular dipole moments can account for the EO response.

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)0.000
Version: metacan-v3-hybrid-931329e0061cValidation 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 score0.002
Threshold uncertainty score0.005

Distilled classifier scores by category (both heads)

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)0.0020.000

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 head0.004
GPT teacher head0.206
Teacher spread0.202 · 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 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

Citations9
Published2021
Admission routes1
Has abstractyes

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