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Record W4311362377 · doi:10.26434/chemrxiv-2022-07rlk

Oxy-reductive C-N bond formation via pulsed electrolysis

2022· preprint· en· W4311362377 on OpenAlexafffund
Yuxuan Zhang, Hasan Al‐Mahayni, Pedro M. Aguiar, Daniel Chartrand, Morgan McKee, Ali Seifitokaldani, Nikolay Kornienko

Bibliographic record

VenueChemRxiv · 2022
Typepreprint
Languageen
FieldEnergy
TopicCO2 Reduction Techniques and Catalysts
Canadian institutionsMcGill UniversityUniversité de Montréal
FundersCompute CanadaNatural Sciences and Engineering Research Council of CanadaMcGill University
KeywordsElectrocatalystFormamideCatalysisChemistryMethylamineElectrochemistryElectrolysisAcetamideAdsorptionInorganic chemistryCombinatorial chemistryPhysical chemistryOrganic chemistryElectrode

Abstract

fetched live from OpenAlex

Co-electrolysis of CO2 with simple N-species is an appealing route to sustainable fabrication of C-N bond containing products. A prominent challenge in, the area is to promote the C-N coupling step in place of the established CO2 reduction pathways. This can be particularly difficult when relying on solution-based species (e.g., NH3) to intercept intermediates that are continually being reduced on heterogeneous catalyst surfaces. In light of this, we introduce pulsed electrocatalysis as a tool for C-N bond formation. The reaction routes opened through this method involve both partial reduction and partial oxidation of separate reactants on the same catalyst surface in parallel to co-adsorb their activated intermediates proximal to one another. Using the CO2 and NH3 as model reactants, the end result is an enhancement of selectivity and formation rates for C-N bond containing products (urea, formamide, acetamide, methylamine) by factors of 3-20 as compared to static electrolysis in otherwise identical conditions. An array of operando measurements and computational modelling was carried out to pinpoint the key factors behind this performance enhancement. Finally, the oxy-reductive coupling strategy was extended to additional carbon and nitrogen reactants as well as applied to boost electrochemical C-S coupling.

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 head0.012
GPT teacher head0.247
Teacher spread0.235 · 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

Citations7
Published2022
Admission routes2
Has abstractyes

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Same venueChemRxivSame topicCO2 Reduction Techniques and CatalystsFrench-language works237,207