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Record W4200037060 · doi:10.1007/s12274-021-4028-1

Single palladium atoms stabilized by β-FeOOH nanorod with superior performance for selective hydrogenation of cinnamaldehyde

2021· article· en· W4200037060 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.

Bibliographic record

VenueNano Research · 2021
Typearticle
Languageen
FieldChemistry
TopicNanomaterials for catalytic reactions
Canadian institutionsQueen's University
Fundersnot available
KeywordsPalladiumCatalysisCinnamaldehydeNanorodSelectivityCovalent bondAtom (system on chip)PhotochemistryMaterials scienceDensity functional theoryAbsorption (acoustics)ChemistryNanotechnologyComputational chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Atomically dispersed single atom catalysts represent an ideal means of converting less valuable organics into value-added chemicals of interest with high efficiency. Herein, we describe a facile synthetic approach to create defect-containing β-FeOOH doped with isolated palladium atoms that bond covalently to the nearby oxygen and iron atoms. The presence of singly dispersed palladium atoms is confirmed by spherical aberration correction electron microscopy and extended X-ray absorption fine structure measurements. This single palladium atom catalyst manifests outstanding catalytic efficiency (conversion: 99%; selectivity 99%; turnover frequency: 2,440 h−1) in the selective hydrogenation of cinnamaldehyde to afford hydrocinnamaldehyde. Experimental measurements and density functional theory (DFT) calculations elucidate the high catalytic activity and the strong metal-support interaction stem from the unique coordination environment of the isolated palladium atoms. These findings may pave the way for the facile construction of single atom catalysts in a defect-mediated strategy for efficient organic transformations in heterogeneous catalysis.

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 score0.011
Threshold uncertainty score0.643

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
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 science0.0000.000
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 head0.035
GPT teacher head0.306
Teacher spread0.271 · 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