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Record W2944198683 · doi:10.1021/jacs.9b02945

Binding Site Diversity Promotes CO<sub>2</sub> Electroreduction to Ethanol

2019· article· en· W2944198683 on OpenAlexafffund
Yuguang Li, Ziyun Wang, Tiange Yuan, Dae‐Hyun Nam, Mingchuan Luo, Joshua Wicks, Bin Chen, Jun Li, Fengwang Li, F. Pelayo Garcı́a de Arquer, Ying Wang, Cao‐Thang Dinh, Oleksandr Voznyy, David Sinton, Edward H. Sargent

Bibliographic record

VenueJournal of the American Chemical Society · 2019
Typearticle
Languageen
FieldEnergy
TopicCO2 Reduction Techniques and Catalysts
Canadian institutionsUniversity of Toronto
FundersNatural Sciences and Engineering Research Council of CanadaMitacsCompute CanadaSuncor Energy IncorporatedOntario Centres of Excellence
KeywordsChemistryEthanolDiversity (politics)Environmental chemistryStereochemistryOrganic chemistry

Abstract

fetched live from OpenAlex

The electrochemical reduction of CO 2 has seen many record-setting advances in C 2 productivity in recent years. However, the selectivity for ethanol, a globally significant commodity chemical, is still low compared to the selectivity for products such as ethylene. Here we introduce diverse binding sites to a Cu catalyst, an approach that destabilizes the ethylene reaction intermediates and thereby promotes ethanol production. We develop a bimetallic Ag/Cu catalyst that implements the proposed design toward an improved ethanol catalyst. It achieves a record Faradaic efficiency of 41% toward ethanol at 250 mA/cm 2 and −0.67 V vs RHE, leading to a cathodic-side (half-cell) energy efficiency of 24.7%. The new catalysts exhibit an in situ Raman spectrum, in the region associated with CO stretching, that is much broader than that of pure Cu controls, a finding we account for via the diversity of binding configurations. This physical picture, involving multisite binding, accounts for the enhanced ethanol production for bimetallic catalysts, and presents a framework to design multimetallic catalysts to control reaction paths in CO 2 reductions toward desired products.

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 score0.003
Threshold uncertainty score0.011

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)0.0030.001

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 head0.008
GPT teacher head0.238
Teacher spread0.230 · 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

Citations562
Published2019
Admission routes2
Has abstractyes

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