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Record W4404329625 · doi:10.1021/jacs.4c11891

Ruthenium-Substituted Polyoxoanion Serves as Redox Shuttle and Intermediate Stabilizer in Selective Electrooxidation of Ethylene to Ethylene Glycol

2024· article· en· W4404329625 on OpenAlexaff
Jiaqi Yu, Charles B. Musgrave, Q. Chen, Yi Yang, Cong Tian, Xiaobing Hu, Gloria H. Su, Heejong Shin, Weiyan Ni, Xinqi Chen, Pengfei Ou, Yuan Liu, Neil M. Schweitzer, Debora Meira, Vinayak P. Dravid, William A. Goddard, Ke Xie, Edward H. Sargent

Bibliographic record

VenueJournal of the American Chemical Society · 2024
Typearticle
Languageen
FieldEnergy
TopicElectrocatalysts for Energy Conversion
Canadian institutionsCanadian Light Source (Canada)
FundersArgonne National LaboratoryDivision of Electrical, Communications and Cyber SystemsBasic Energy SciencesInternational Institute for Nanotechnology, Northwestern UniversityDivision of ChemistryDivision of Materials Research
KeywordsChemistryEthylene glycolEthyleneStabilizer (aeronautics)RutheniumRedoxInorganic chemistryPolymer chemistryPhotochemistryCatalysisOrganic chemistry

Abstract

fetched live from OpenAlex

The high carbon intensity of present-day ethylene glycol (EG) production motivates interest in electrifying ethylene oxidation. Noting poor kinetics in prior reports of the organic electrooxidation of small hydrocarbons, we explored the design of mediators that activate and simultaneously stabilize light alkenes. A ruthenium-substituted polyoxometalate (Ru-POM, {Si[Ru(H 2 O)W 11 O 39 ]} 5– ) achieves 82% faradaic efficiency in EG production at 100 mA/cm 2 under ambient conditions. Via the union of in situ spectroscopic techniques, electrochemical studies, and density functional theory calculations, we find evidence of a two-step oxidation mechanism: Ru-POM first undergoes electrochemical oxidation to the high valent state, activating ethylene via partial oxidation and forming an intermediate complex; this intermediate complex then migrates to the anode where it undergoes further oxidation to produce EG. The Ru-POM-mediated electrocatalytic system reduces the projected energy consumption required in EG production, requiring 9 GJ per ton of EG (and accompanied by 0.04 ton H 2 coproduction), compared to 20–30 GJ/ton in typical prior processes.

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 head0.005
GPT teacher head0.245
Teacher spread0.240 · 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

Citations18
Published2024
Admission routes1
Has abstractyes

Explore more

Same venueJournal of the American Chemical SocietySame topicElectrocatalysts for Energy ConversionFrench-language works237,207