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Record W2971471509 · doi:10.1038/s41467-019-11992-2

Highly selective oxygen reduction to hydrogen peroxide on transition metal single atom coordination

2019· article· en· W2971471509 on OpenAlexafffund
Kun Jiang, Seoin Back, Austin J. Akey, Chuan Xia, Yongfeng Hu, Wentao Liang, Diane Schaak, Eli Stavitski, Jens K. Nørskov, Samira Siahrostami, Haotian Wang

Bibliographic record

VenueNature Communications · 2019
Typearticle
Languageen
FieldEnergy
TopicElectrocatalysts for Energy Conversion
Canadian institutionsCanadian Light Source (Canada)University of CalgaryUniversity of Saskatchewan
FundersNational Research Council CanadaLaboratory Directed Research and DevelopmentWestern Economic Diversification CanadaOffice of ScienceCanada First Research Excellence FundCanadian Network for Research and Innovation in Machining Technology, Natural Sciences and Engineering Research Council of CanadaVillum FondenUniversity of SaskatchewanBasic Energy SciencesNatural Sciences and Engineering Research Council of CanadaCanadian Light SourceRowland Institute at HarvardRice UniversityUniversity of CalgaryBrookhaven National LaboratoryU.S. Department of EnergyHarvard UniversityCanadian Institutes of Health ResearchNational Science Foundation
KeywordsHydrogen peroxideCatalysisElectrochemistryTransition metalChemistryMetalOxygenReversible hydrogen electrodeHydrogenDensity functional theoryInorganic chemistryCarbon fibersSelectivityPhotochemistryMaterials scienceElectrodePhysical chemistryComputational chemistryWorking electrodeOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract Shifting electrochemical oxygen reduction towards 2e – pathway to hydrogen peroxide (H 2 O 2 ), instead of the traditional 4e – to water, becomes increasingly important as a green method for H 2 O 2 generation. Here, through a flexible control of oxygen reduction pathways on different transition metal single atom coordination in carbon nanotube, we discovered Fe-C-O as an efficient H 2 O 2 catalyst, with an unprecedented onset of 0.822 V versus reversible hydrogen electrode in 0.1 M KOH to deliver 0.1 mA cm −2 H 2 O 2 current, and a high H 2 O 2 selectivity of above 95% in both alkaline and neutral pH. A wide range tuning of 2e – /4e – ORR pathways was achieved via different metal centers or neighboring metalloid coordination. Density functional theory calculations indicate that the Fe-C-O motifs, in a sharp contrast to the well-known Fe-C-N for 4e – , are responsible for the H 2 O 2 pathway. This iron single atom catalyst demonstrated an effective water disinfection as a representative application.

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 science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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 head0.010
GPT teacher head0.244
Teacher spread0.234 · 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

Citations802
Published2019
Admission routes2
Has abstractyes

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