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Record W4412183882 · doi:10.1002/inf2.70051

Dynamic reversible evolution of vicinal/bonding heteronuclear diatoms drives relay reductive C–N coupling for enhancive urea electrosynthesis

2025· article· en· W4412183882 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

VenueInfoMat · 2025
Typearticle
Languageen
FieldChemical Engineering
TopicAmmonia Synthesis and Nitrogen Reduction
Canadian institutionsUniversity of Calgary
FundersNational Natural Science Foundation of China
KeywordsVicinalElectrosynthesisUreaSelectivityElectron transferChemistryCatalysisPhotochemistryInorganic chemistryElectrochemistryMaterials sciencePhysical chemistryOrganic chemistryElectrode

Abstract

fetched live from OpenAlex

Abstract The precise construction of dual active sites has been uncovered for the electroreduction of C‐ and N‐based precursors to synthesize urea. However, these strategies often face adsorption scaling constraints and spatial restrictions that hinder C–N coupling, resulting in suboptimal activity and selectivity. Here, we showcase a dynamically reversible evolution between vicinal Fe/Cu diatoms and alloy‐like Fe–Cu sites, enabling cascade protonation and efficient C–N coupling. This approach markedly enhances urea electrosynthesis from CO 2 and NO 3 − , achieving an ultrahigh urea yield of 2421.2 μg h −1 mg −1 , Faraday efficiency (FE) of 70.4%, and C‐selectivity of 96.7%, surpassing state‐of‐the‐art dual‐site electrocatalysts. Operando spectroscopy and theoretical calculations reveal that neighboring Fe/Cu diatoms facilitate the selective adsorption and hydrogenation of NO 3 − and CO 2 into the key intermediates (*NO and *CO). Furthermore, alloy‐like Fe–Cu sites, formed in situ due to declined metal surface free energy driven by electron transfer, facilitate C–N coupling and subsequent protonation to selectively produce urea, while dynamically reverting to vicinal Fe/Cu diatoms. This work provides new insights into the relay catalytic strategy for urea electrosynthesis by modulating the dynamic atomic‐scale evolution of active sites. image

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)0.000
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 score0.083
Threshold uncertainty score0.788

Codex and Gemma teacher scores by category

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)0.0000.000

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 head0.005
GPT teacher head0.232
Teacher spread0.227 · 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