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Record W3038926015 · doi:10.1021/jacs.0c01123

Polarization-Induced Local pH Swing Promotes Pd-Catalyzed CO<sub>2</sub> Hydrogenation

2020· article· en· W3038926015 on OpenAlexfundno aff
Jaeyune Ryu, Yogesh Surendranath

Bibliographic record

VenueJournal of the American Chemical Society · 2020
Typearticle
Languageen
FieldEnergy
TopicCO2 Reduction Techniques and Catalysts
Canadian institutionsnot available
FundersAir Force Office of Scientific ResearchCanadian Institute for Advanced ResearchSamsungResearch Corporation for Science AdvancementAlfred P. Sloan Foundation
KeywordsChemistryAlkalinityFormateCatalysisPolarization (electrochemistry)BicarbonateFaraday efficiencyAqueous solutionElectrolyteInorganic chemistryPhysical chemistryElectrodeOrganic chemistry

Abstract

fetched live from OpenAlex

Electrochemical polarization can dramatically promote the rate of concurrent nonfaradaic catalytic reactions, but the mechanistic basis for these promotion effects at solid–liquid interfaces remains poorly understood. Herein, we establish a mechanistic framework for nonfaradaic promotion in aqueous media that operates via a local pH swing induced by a concurrent faradaic reaction. As a model system, we examined the kinetics of nonfaradaic Pd-catalyzed CO 2 hydrogenation to formate and find that the reaction can be promoted by a combination of high alkalinity and high CO 2 concentration. In bulk electrolyte, alkalinity and CO 2 concentration are inversely correlated to each other as set by the CO 2 /bicarbonate equilibrium. We show that this impasse can be overcome by using electrical polarization to generate a nonequilibrium local environment that has both high alkalinity and high CO 2 concentration. We find that this local pH swing promotes the rate of nonfaradaic CO 2 hydrogenation to formate by nearly 3 orders of magnitude at modest potential bias. The work establishes a rigorous mechanistic model of nonfaradaic promotion in aqueous media and provides a basis for enhancing hydrogenation catalysis under mild conditions via electrical polarization.

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 head0.012
GPT teacher head0.242
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

Citations41
Published2020
Admission routes1
Has abstractyes

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Same venueJournal of the American Chemical SocietySame topicCO2 Reduction Techniques and CatalystsFrench-language works237,207