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Record W4415607750 · doi:10.1016/j.apcatb.2025.126133

Hydroxyl-mediated interfacial oxophilicity engineering for efficient CO2-to-C2+ oxygenates conversion at industrial current densities

2025· article· en· W4415607750 on OpenAlexafffund
Subhajit Jana, Chengqian Wu, Ning Chen, David Sinton, Yimin A. Wu

Bibliographic record

VenueApplied Catalysis B: Environmental · 2025
Typearticle
Languageen
FieldEnergy
TopicCO2 Reduction Techniques and Catalysts
Canadian institutionsCanadian Light Source (Canada)University of TorontoUniversity of Waterloo
FundersGovernment of SaskatchewanNatural Sciences and Engineering Research Council of CanadaNational Research CouncilCanadian Institutes of Health ResearchUniversity of TorontoNational Research Council CanadaCanada Foundation for InnovationUniversity of Saskatchewan
KeywordsOxygenateFaraday efficiencyDeoxygenationCatalysisSelectivityReaction intermediateWork (physics)Coupling (piping)Density functional theory

Abstract

fetched live from OpenAlex

Electrocatalytic CO 2 reduction (eCO 2 RR) to multi-carbon (C 2+ ) products is a promising pathway for renewable energy storage and carbon neutrality. However, selectively steering the reaction toward high-value C 2+ oxygenates, rather than ethylene, remains a major challenge due to the intertwined reaction pathways following the initial C–C coupling step. Herein, we propose a hydroxyl-mediated interfacial oxophilic engineering strategy to selectively stabilize oxygenated intermediates and promote their directional transformation into C 2+ oxygenates. In situ spectroscopic analyses and DFT calculations reveal that hydroxyl species preferentially anchor at low-coordinated Cu sites at the Cu/Cu 2 O interface, creating a locally oxophilic and chemically asymmetric microenvironment. This interfacial hydroxyl layer not only stabilizes Cu δ+ species under high current densities but also promotes the retention of *OCCHO and *CHO-like intermediates, while disfavoring their deoxygenation to ethylene. As a result, the catalyst achieves a C 2+ oxygenates Faradaic efficiency of 68% at an industrially relevant current density of 200 mA cm -2 in a 5 cm 2 membrane electrode assembly. This work highlights the critical role of interfacial oxophilicity in governing product selectivity and offers a generalizable design principle for constructing high-performance eCO 2 RR catalysts that break the traditional trade-off between C–C coupling efficiency and product selectivity.

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 score0.002

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 head0.008
GPT teacher head0.207
Teacher spread0.199 · 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

Citations2
Published2025
Admission routes2
Has abstractyes

Explore more

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