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Record W3217158510 · doi:10.1038/s41467-021-27143-5

A general strategy for preparing pyrrolic-N4 type single-atom catalysts via pre-located isolated atoms

2021· article· en· W3217158510 on OpenAlexafffund
Junjie Li, Yafei Jiang, Qi Wang, Cong‐Qiao Xu, Duojie Wu, Mohammad Norouzi Banis, Keegan R. Adair, Kieran Doyle‐Davis, Debora Meira, Y. Zou Finfrock, Weihan Li, Lei Zhang, Tsun‐Kong Sham, Ruying Li, Ning Chen, Meng Gu, Jun Li, Xueliang Sun

Bibliographic record

VenueNature Communications · 2021
Typearticle
Languageen
FieldEnergy
TopicElectrocatalysts for Energy Conversion
Canadian institutionsCanadian Light Source (Canada)Western University
FundersCanadian Light SourceBallard Power SystemsNatural Sciences and Engineering Research Council of CanadaSouthern University of Science and TechnologyHigher Education Discipline Innovation ProjectDevelopment and Reform Commission of Shenzhen MunicipalityChina Scholarship CouncilNational Natural Science Foundation of ChinaOffice of ScienceCanada Research ChairsArgonne National LaboratoryU.S. Department of Energy
KeywordsCatalysisX-ray absorption spectroscopyDissociation (chemistry)Oxygen atomAtom (system on chip)Absorption spectroscopyDensity functional theoryNanoparticleSpectroscopyNanotechnologyMaterials scienceChemistryCrystallographyMoleculePhysical chemistryComputational chemistryPhysicsOrganic chemistryOpticsComputer science

Abstract

fetched live from OpenAlex

Abstract Single-atom catalysts (SACs) have been applied in many fields due to their superior catalytic performance. Because of the unique properties of the single-atom-site, using the single atoms as catalysts to synthesize SACs is promising. In this work, we have successfully achieved Co1 SAC using Pt1 atoms as catalysts. More importantly, this synthesis strategy can be extended to achieve Fe and Ni SACs as well. X-ray absorption spectroscopy (XAS) results demonstrate that the achieved Fe, Co, and Ni SACs are in a M1-pyrrolic N4 (M= Fe, Co, and Ni) structure. Density functional theory (DFT) studies show that the Co(Cp)2 dissociation is enhanced by Pt1 atoms, thus leading to the formation of Co1 atoms instead of nanoparticles. These SACs are also evaluated under hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), and the nature of active sites under HER are unveiled by the operando XAS studies. These new findings extend the application fields of SACs to catalytic fabrication methodology, which is promising for the rational design of advanced SACs.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation 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 score0.001
Threshold uncertainty score0.003

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0010.001

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 head0.020
GPT teacher head0.287
Teacher spread0.267 · 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 source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
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

Citations162
Published2021
Admission routes2
Has abstractyes

Explore more

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