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Record W4388145824 · doi:10.1039/d3cp04220k

High pressure behaviour of the organic semiconductor salt (TTF-BTD)<sub>2</sub>I<sub>3</sub>

2023· article· en· W4388145824 on OpenAlexaff
Fabio Montisci, Arianna Lanza, Martin Fisch, Camille Sonneville, Yan Geng, Silvio Decurtins, Christian Reber, Shi‐Xia Liu, Piero Macchi

Bibliographic record

VenuePhysical Chemistry Chemical Physics · 2023
Typearticle
Languageen
FieldMaterials Science
TopicOrganic and Molecular Conductors Research
Canadian institutionsUniversité de Montréal
FundersSchweizerischer Nationalfonds zur Förderung der Wissenschaftlichen ForschungNational Science Foundation
KeywordsSemiconductorOrganic semiconductorRaman spectroscopySalt (chemistry)High pressureSemiconductor materialsChemistryMaterials scienceInorganic chemistryCondensed matter physicsAnalytical Chemistry (journal)CrystallographyThermodynamicsPhysical chemistryPhysicsOrganic chemistryQuantum mechanicsOptoelectronics

Abstract

fetched live from OpenAlex

alternating short and long π-π interactions. We studied TTF-BTD at temperatures ranging from 300 K to 90 K and at pressures up to 7.5 GPa, using both X-ray diffraction and Raman spectroscopy to determine the properties of the compressed samples. Periodic DFT calculations and several theoretical tools were employed to characterize the calculated structural modifications and to predict the structural changes up to 60 GPa. The existence of an unprecedented new phase is predicted above 20 GPa, following a covalent bond formation between two neighbouring TTF-BTD units.

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 score0.006

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 studies0.0000.001
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 head0.014
GPT teacher head0.241
Teacher spread0.228 · 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

Citations3
Published2023
Admission routes1
Has abstractyes

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