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Record W2891376110 · doi:10.1073/pnas.1802256115

On the origin of the elusive first intermediate of CO <sub>2</sub> electroreduction

2018· article· en· W2891376110 on OpenAlexafffund
И. В. Чернышова, P. Somasundaran, Sathish Ponnurangam

Bibliographic record

VenueProceedings of the National Academy of Sciences · 2018
Typearticle
Languageen
FieldEnergy
TopicCO2 Reduction Techniques and Catalysts
Canadian institutionsUniversity of Calgary
FundersNatural Sciences and Engineering Research Council of CanadaGovernment of CanadaNational Science Foundation
KeywordsFormateCatalysisMilestoneChemistryReaction intermediateCombinatorial chemistryCarboxylateSelectivityComputational chemistryStereochemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Significance The understanding of a catalytic reaction starts with understanding its first elementary step. Surprisingly, despite the large number of studies, it is unclear whether one common or two different first intermediates control the selectivity of CO 2 electroreduction to formate and CO. We settle this controversy for Cu, which is best known for its unique capacity to synthesize C 1+ products but is just emerging as a superior earth-abundant catalyst for CO and formate. We provide solid experimental and theoretical support of the one common first-intermediate (Hori’s) model, the first intermediate being carboxylate. This outcome is an essential milestone toward accurate specification of the reaction descriptors in the growing effort to accelerate the discovery of a viable CO 2 electroreduction catalyst.

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)0.001
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: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.003
Threshold uncertainty score0.011

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0010.002
Scholarly communication0.0020.002
Open science0.0010.001
Research integrity0.0010.002
Insufficient payload (model declined to judge)0.0030.001

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 head0.024
GPT teacher head0.289
Teacher spread0.265 · 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

Citations529
Published2018
Admission routes2
Has abstractyes

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