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Record W4416758388 · doi:10.1038/s41467-025-66841-2

Site-specific synergy by heteronuclear microenvironment atomic editing for oxygen reduction reaction

2025· article· en· W4416758388 on OpenAlexaff
Siqi Ji, Yuhao Wang, Hongxue Liu, Xue Lü, Yu Wang, Xinlong Tian, Yasong Zhao, J. Hugh Horton, Zhijun Li

Bibliographic record

VenueNature Communications · 2025
Typearticle
Languageen
FieldEnergy
TopicElectrocatalysts for Energy Conversion
Canadian institutionsQueen's University
FundersNortheast Petroleum UniversityBeijing Synchrotron Radiation FacilityNational Synchrotron Radiation LaboratoryNatural Science Foundation of Heilongjiang ProvinceNational Natural Science Foundation of China
KeywordsHeteronuclear moleculeCatalysisCarbon fibersOxygenTriatomic moleculeModulation (music)Matrix (chemical analysis)Reduction (mathematics)

Abstract

fetched live from OpenAlex

Although iron-nitrogen-carbon catalysts are appealing for use in the oxygen reduction reaction, achieving high activity and a long lifetime remains a persistent challenge. This necessitates the precise modulation of the active sites’ microenvironment. Herein, we present a microenvironment atomic editing strategy for accessing heteronuclear triatomic Fe and Co sites of Fe1Co2N7O1 supported on a nitrogen-doped carbon matrix (Fe1Co2/NC). Its performance is boosted by the orbital hybridization between Fe and Co atoms, which alters the d band centers to push the activity (half-wave potential of 0.94 V in alkaline and 0.88 V in acid conditions) and stability boundaries to a high level. The optimized metal-adsorbate interactions and strengthened metal − N bonding in Fe1Co2N7O1 are responsible for the competitive activity and stability. Furthermore, rechargeable and flexible quasi-solid-state zinc-air batteries using this catalyst achieve high power density (282.7 mW cm−2 and 95.8 mW cm−2) and high operational stability, and are therefore more energy-efficient than commercial catalysts. Our findings underscore the importance of atomic editing for designing low-nuclearity catalysts. The development of advanced electrocatalysts with high efficiency and longevity is essential to alleviate the energy crisis. Here, the authors report an atomic editing strategy to access atomically dispersed, heteronuclear triatomic Fe and Co sites to endow improved activity and stability.

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 score0.002
Threshold uncertainty score0.005

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)0.0020.000

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 head0.008
GPT teacher head0.241
Teacher spread0.233 · 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

Citations20
Published2025
Admission routes1
Has abstractyes

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