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Record W4396733075 · doi:10.1021/jacs.4c03806

Bimetallic Metal Sites in Metal–Organic Frameworks Facilitate the Production of 1-Butene from Electrosynthesized Ethylene

2024· article· en· W4396733075 on OpenAlexaff
Mi Gyoung Lee‬, Sharath Kandambeth, Xiaoyan Li, Osama Shekhah, Adnan Ozden, Joshua Wicks, Pengfei Ou, Sasa Wang, Roham Dorakhan, Sungjin Park, Prashant M. Bhatt, Vinayak S. Kale, David Sinton, Mohamed Eddaoudi, Edward H. Sargent

Bibliographic record

VenueJournal of the American Chemical Society · 2024
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsUniversity of Toronto
FundersIncheon National University
KeywordsChemistryBimetallic stripMetal-organic frameworkEthyleneMetalOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

Converting CO 2 to synthetic hydrocarbon fuels is of increasing interest. In light of progress in electrified CO 2 to ethylene, we explored routes to dimerize to 1-butene, an olefin that can serve as a building block to ethylene longer-chain alkanes. With goal of selective and active dimerization, we investigate a series of metal–organic frameworks having bimetallic catalytic sites. We find that the tunable pore structure enables optimization of selectivity and that periodic pore channels enhance activity. In a tandem system for the conversion of CO 2 to 1-C 4 H 8, wherein the outlet cathodic gas from a CO 2 -to-C 2 H 4 electrolyzer is fed directly (via a dehumidification stage) into the C 2 H 4 dimerizer, we study the highest-performing MOF found herein: M′ = Ru and M″ = Ni in the bimetallic two-dimensional M′ 2 (OAc) 4 M″(CN) 4 MOF. We report a 1-C 4 H 8 production rate of 1.3 mol g cat –1 h –1 and a C 2 H 4 conversion of 97%. From these experimental data, we project an estimated cradle-to-gate carbon intensity of −2.1 kg-CO 2 e/kg-1-C 4 H 8 when CO 2 is supplied from direct air capture and when the required energy is supplied by electricity having the carbon intensity of wind.

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 head0.014
GPT teacher head0.248
Teacher spread0.233 · 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

Citations22
Published2024
Admission routes1
Has abstractyes

Explore more

Same venueJournal of the American Chemical SocietySame topicMetal-Organic Frameworks: Synthesis and ApplicationsFrench-language works237,207