MétaCan
Menu
Back to cohort
Record W2321715172 · doi:10.1021/jp509296w

Role of Au<sub>4</sub> Units on the Electronic and Bonding Properties of Au<sub>28</sub>(SR)<sub>20</sub> Nanoclusters from X-ray Spectroscopy

2014· article· en· W2321715172 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.

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

Bibliographic record

VenueThe Journal of Physical Chemistry C · 2014
Typearticle
Languageen
FieldMaterials Science
TopicNanocluster Synthesis and Applications
Canadian institutionsDalhousie University
FundersNatural Sciences and Engineering Research Council of CanadaAir Force Office of Scientific ResearchDalhousie UniversityCamille and Henry Dreyfus Foundation
KeywordsNanoclustersIcosahedral symmetryCrystallographyMaterials scienceCluster (spacecraft)X-ray photoelectron spectroscopyCore (optical fiber)SpectroscopyAtom (system on chip)Electronic structureAb initioNanotechnologyChemistryComputational chemistryPhysicsNuclear magnetic resonance

Abstract

fetched live from OpenAlex

The emergence of FCC-ordered core structures in thiolate-protected gold nanoclusters has motivated researchers in this area to reconsider the possibility of nonicosahedral core frameworks. With the recent elucidation of a four-membered FCC-ordered core series (Au 20 (SR) 16, Au 28 (SR) 20, Au 36 (SR) 24, and Au 44 (SR) 28 ), it is now of significant interest to understand how their electronic and bonding properties are influenced by the cluster composition and how they differ from, or may be linked to, their icosahedral counterparts. Of recent, attention has been focused on the presence of small Au 4 units, which comprise the majority of the known FCC-ordered thiolate-protected gold nanocluster core structures. Herein, the Au 28 (SR) 20 nanocluster with a 20 Au atom FCC-ordered core is investigated with temperature-dependent X-ray absorption spectroscopy experiments and ab initio simulations to elucidate the bonding and electronic properties of the second member of the FCC-ordered core series. By comparing the results of Au 28 (SR) 20 with its larger FCC-ordered relative, Au 36 (SR) 24, and its icosahedral counterpart, Au 25 (SR) 18, the significant role of Au 4 core units on the bonding properties of FCC-ordered gold nanoclusters is highlighted in this work.

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 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 score0.773

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 studies0.0000.001
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.000
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 head0.009
GPT teacher head0.201
Teacher spread0.192 · 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