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Record W2766782313 · doi:10.1021/acsnano.7b04888

Bulk Immiscibility at the Edge of the Nanoscale

2017· article· it· W2766782313 on OpenAlex
Michael Chatzidakis, Sagar Prabhudev, Peyman Saidi, Cory N. Chiang, J.J. Hoyt, Gianluigi A. Botton

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.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueACS Nano · 2017
Typearticle
Languageit
FieldEarth and Planetary Sciences
Topicnanoparticles nucleation surface interactions
Canadian institutionsQueen's UniversityMcMaster University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsNanoparticleMaterials scienceNanoscopic scaleNanotechnologyPhase (matter)Chemical physicsMolecular dynamicsScanning transmission electron microscopyTransmission electron microscopyCatalysisChemistryComputational chemistry

Abstract

fetched live from OpenAlex

In the quest to identify more effective catalyst nanoparticles for many industrially important applications, the Au-Pt system has gathered considerable attention. Despite considerable effort the interplay between phase equilibrium behavior and surface segregation in Au-Pt nanoparticles is still poorly understood. Here we investigate the phase equilibrium behavior of 20 nm Au-Pt nanoparticles using a combination of high-resolution scanning transmission electron microscopy and a hybrid Monte Carlo and molecular dynamics atomistic simulation technique. Our approach takes into account the effects of immiscibility, elastic strain, interfacial free energy, and surface segregation. This is used to explain two key phenomena taking place in these nanoparticles. The first is whether the binary system remains immiscible at the nanoscale, and if so what morphology would the secondary phase take. Our findings suggest that even at sizes of 20 nm, thermally equilibrated Au-Pt nanoparticles remain largely immiscible and behave thermodynamically as bulk-like systems. We explain why 20 nm Au-Pt nanoparticles phase separate into hemispheres as opposed to a thick-shelled core-shell structure. These insights are central to further optimization of Au-Pt nanoparticles toward enhanced catalytic activities. The phase-separated Janus particles observed in this study offer enhanced material functionality arising from the nonuniformity of their plasmonic, catalytic, and surface properties.

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)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesScience and technology studies, Insufficient payload (model declined to judge)
Consensus categoriesInsufficient payload (model declined to judge)
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Observational · Consensus signal: Observational
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.168
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0020.002
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0070.002

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 head0.259
Teacher spread0.232 · 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