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Record W3005105004 · doi:10.1021/acsenergylett.0c00018

Boosting CO<sub>2</sub> Electroreduction to CH<sub>4</sub> via Tuning Neighboring Single-Copper Sites

2020· article· en· W3005105004 on OpenAlexaff
Anxiang Guan, Zheng Chen, Yueli Quan, Peng Chen, Zhiqiang Wang, Tsun‐Kong Sham, Chao Yang, Yali Ji, Linping Qian, Xin Xu, Gengfeng Zheng

Bibliographic record

VenueACS Energy Letters · 2020
Typearticle
Languageen
FieldEnergy
TopicCO2 Reduction Techniques and Catalysts
Canadian institutionsWestern University
FundersScience and Technology Commission of Shanghai MunicipalityOffice of ScienceMinistry of Science and Technology of the People's Republic of ChinaShanghai Municipal Education CommissionNational Natural Science Foundation of China
KeywordsCopperNitrogenCatalysisDensity functional theoryPyrolysisElectrocatalystCarbon fibersChemistryDopingInorganic chemistryDispersion (optics)Analytical Chemistry (journal)Materials scienceElectrochemistryPhysical chemistryComputational chemistryElectrodeComposite number

Abstract

fetched live from OpenAlex

We report single-atom Cu catalysts dispersed on nitrogen-doped carbon by a nitrogen-coordination strategy. The presence of nitrogen enabled good dispersion and attachment of atomic Cu species on the nitrogen-doped carbon frameworks with Cu–N x configurations. The Cu doping concentrations and Cu–N x configurations were well-tuned by the pyrolysis temperature. At a high Cu concentration of 4.9% mol, the distance between neighboring Cu–N x species was close enough to enable C–C coupling and produce C 2 H 4 . In contrast, at Cu concentrations lower than 2.4% mol, the distance between Cu–N x species was large so that the electrocatalyst favored the formation of CH 4 as C 1 products. Density functional theory calculations further confirmed the capability of producing C 2 H 4 by two CO intermediates binding on two adjacent Cu–N 2 sites, while the isolated Cu–N 4, the neighboring Cu–N 4, and the isolated Cu–N 2 sites led to formation of CH 4 . Our work demonstrates a facile approach of tuning active Cu sites for CO 2 electroreduction to different hydrocarbons.

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)0.0010.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.001
Open science0.0010.000
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 head0.017
GPT teacher head0.218
Teacher spread0.201 · 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

Citations534
Published2020
Admission routes1
Has abstractyes

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