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Record W4393932170 · doi:10.26434/chemrxiv-2024-pq2kg

Water clustering modulates activity and enables hydrogenated product formation during carbon monoxide electroreduction in aprotic media

2024· preprint· en· W4393932170 on OpenAlexfundno aff
Hannah Fejzić, Ritesh Kumar, Reginaldo Gomes, Lilin He, Theodore Houser, Jaemin Kim, Nora Molten, Chibueze V. Amanchukwu

Bibliographic record

VenueChemRxiv · 2024
Typepreprint
Languageen
FieldChemistry
TopicElectrochemical Analysis and Applications
Canadian institutionsnot available
FundersOak Ridge National LaboratoryBasic Energy SciencesDivision of Materials ResearchOffice of ScienceEuropean CommissionCanadian Institute for Advanced ResearchU.S. Department of EnergyUniversity of ChicagoNational Science Foundation
KeywordsCarbon monoxideProduct (mathematics)Cluster analysisChemistryPhotochemistryChemical engineeringCatalysisOrganic chemistryComputer scienceEngineering

Abstract

fetched live from OpenAlex

Water solvation plays a critical role in a wide range of electrochemical transformations, but its role is often convoluted since it is typically used as both solvent and proton source. Here, we experimentally control water speciation and activity using aprotic solvent media during carbon monoxide reduction reaction (CORR). Remarkably, we show that aprotic solvents that support microheterogeneous water-water clusters leads to significant amounts of CORR products (methane and ethylene) with a maximum ethylene Faradaic efficiency of 22% in acetonitrile (χH2O = 0.2); the first report of heterogeneous CORR to C2+ products using water as a proton source in an aprotic solvent. In contrast, microhomogeneous systems – where water integrates into the solvents’ intermolecular binding network and has lower activity – primarily support undesired hydrogen evolution reaction (HER). Insights gained expand our understanding of water activity and nonaqueous electrolyte design for other important transformations reactions beyond CO reduction such as CO2RR and HER.

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 score0.004

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 head0.009
GPT teacher head0.211
Teacher spread0.203 · 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
Published2024
Admission routes1
Has abstractyes

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