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Record W4408013771 · doi:10.1038/s41467-025-57202-0

Capturing ultrafast molecular motions and lattice dynamics in spin crossover film using femtosecond diffraction methods

2025· article· en· W4408013771 on OpenAlexaff
Doriana Vinci, Karl Ridier, Fengfeng Qi, Fernando Ardana‐Lamas, Peter Zalden, Lai Chung Liu, Tobias Eklund, Robin Schubert, Dmitry Khakhulin, Carsten Deiter, Nicolas Bottin, Hazem Yousef, David von Stetten, Piotr Łaski, Radosław Kamiński, Katarzyna N. Jarzembska, Rachel F. Wallick, Till Stensitzki, Renske M. van der Veen, Henrike M. Müller‐Werkmeister, Gábor Molnár, Dao Xiang, Christopher J. Milne, Maciej Lorenc, Yifeng Jiang

Bibliographic record

VenueNature Communications · 2025
Typearticle
Languageen
FieldMaterials Science
TopicMagnetism in coordination complexes
Canadian institutionsJDA Software (Canada)
FundersHelmholtz AssociationNational Natural Science Foundation of ChinaNarodowe Centrum NaukiDeutsche ForschungsgemeinschaftAgence Nationale de la RechercheDeutscher Akademischer Austauschdienst
KeywordsFemtosecondPhotoexcitationNanocrystalline materialMaterials scienceUltrafast electron diffractionChemical physicsSpin crossoverUltrashort pulseMolecular dynamicsElectron crystallographyElectronElectron diffractionCrystalliteDiffractionMolecular physicsCondensed matter physicsExcitationNanotechnologyLaserChemistryOpticsPhysicsComputational chemistry

Abstract

fetched live from OpenAlex

A comprehensive insight into ultrafast dynamics of photo-switchable materials is desired for efficient control of material properties through light excitation. Here, we study a polycrystalline spin crossover thin film as a prototypical example and reveal the sequential photo-switching dynamics, from local molecular rearrangement to global lattice deformation. On the earliest femtosecond timescale, the local molecular structural rearrangement occurs within a constant unit-cell volume through a two-step process, involving initial Fe-ligand bond elongation followed by ligand rotation. The highly-oriented structure of the nanocrystalline films and the experimental geometry enables resolving the full anisotropic lattice structural dynamics in and out of the sample plane separately. While both molecular switching and lattice heating influence lattice volume, they exert varying degrees of impact at disparate time scales following photoexcitation. This study highlights the opportunities provided by Mega-electron-volt electron and X-ray free electron laser to advance the understanding of ultrafast dynamics of photo-switchable materials.

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)0.001
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.723
Threshold uncertainty score0.631

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.001
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 head0.026
GPT teacher head0.384
Teacher spread0.358 · 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 designSimulation or modeling
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

Citations6
Published2025
Admission routes1
Has abstractyes

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