MétaCan
Menu
Back to cohort
Record W4295852077 · doi:10.1002/admi.202200815

A New Approach to Polymorphism in Molecular Crystals: Substrate‐Mediated Structures Revealed by Lattice Phonon Dynamics

2022· article· en· W4295852077 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.

fundA Canadian funder is recorded on the work.
no affNo Canadian affiliation: this work is invisible to an affiliation-only frame.
No Canadian affiliation. An affiliation-only frame, the usual design, would never have seen this work. It is one of the works that make the case for inverting the frame.

Bibliographic record

VenueAdvanced Materials Interfaces · 2022
Typearticle
Languageen
FieldMaterials Science
TopicOrganic and Molecular Conductors Research
Canadian institutionsnot available
FundersUniversità di BolognaConcordia University
KeywordsMaterials sciencePentaceneChemical physicsPolymorphism (computer science)Molecular dynamicsLattice (music)Thin filmSubstrate (aquarium)CrystallographyCrystal structureCrystal (programming language)PhononNanotechnologyCondensed matter physicsComputational chemistryChemistryPhysicsLayer (electronics)

Abstract

fetched live from OpenAlex

Abstract The issue of polymorphism in molecular crystals is discussed, taking into account the substrate‐mediated structures, that is, structures grown at the interface of different substrates. Bulk and thin films of a compound both share the potentiality to display different crystal forms. However, unlike bulk polymorphs, whose structures are determined by their different molecular packing, thin film structures depend very much on the molecular organization of the organic layers on the substrate, which may, or may not, lead to an ordered structure, depending on the nature of the interface and on the growth conditions. Based on large part in some of the authors’ recent works, these thin film structures are classified as distorted bulk, substrate‐selected and substrate‐stabilized polymorphs, with some subtle differences which may yield a polymorph to belong not exclusively to a single one of these categories. Some experiments are then focused upon, involving charge transport at the interface, as well as how far the effect of the surface goes. Furthermore, the authors comment on how the surface‐mediated structures evolve to the single crystal phase in the cases of pentacene and α‐sexithiophene. Finally, the transition from a 3‐ to a 2D regime of growth is shortly discussed in terms of low‐dimensional disorder.

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)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
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 score0.005
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.001
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0040.000

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 head0.012
GPT teacher head0.265
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