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Record W2521192923 · doi:10.1021/acscatal.6b01805

Role of the Cu-ZrO<sub>2</sub> Interfacial Sites for Conversion of Ethanol to Ethyl Acetate and Synthesis of Methanol from CO<sub>2</sub> and H<sub>2</sub>

2016· article· en· W2521192923 on OpenAlexfundno aff
Insoo Ro, Yifei Liu, Madelyn R. Ball, David H. K. Jackson, Joseph P. Chada, Canan Sener, T. F. Kuech, Rostam J. Madon, George W. Huber, James A. Dumesic

Bibliographic record

VenueACS Catalysis · 2016
Typearticle
Languageen
FieldMaterials Science
TopicCatalytic Processes in Materials Science
Canadian institutionsnot available
FundersArgonne National LaboratoryBasic Energy SciencesOffice of ScienceDivision of Materials ResearchU.S. Department of EnergyCanadian Light SourceNational Science Foundation
KeywordsCatalysisEthyl acetateMethanolChemistryChemisorptionInfrared spectroscopyFourier transform infrared spectroscopySpectroscopyInductively coupled plasmaAbsorption spectroscopyInorganic chemistryAbsorption (acoustics)Materials scienceOrganic chemistryChemical engineering

Abstract

fetched live from OpenAlex

Well-defined Cu catalysts containing different amounts of zirconia were synthesized by controlled surface reactions (CSRs) and atomic layer deposition methods and studied for the selective conversion of ethanol to ethyl acetate and for methanol synthesis. Selective deposition of ZrO 2 on undercoordinated Cu sites or near Cu nanoparticles via the CSR method was evidenced by UV–vis absorption spectroscopy, scanning transmission electron microscopy, and inductively coupled plasma absorption emission spectroscopy. The concentrations of Cu and Cu-ZrO 2 interfacial sites were quantified using a combination of subambient CO Fourier transform infrared spectroscopy and reactive N 2 O chemisorption measurements. The oxidation states of the Cu and ZrO 2 species for these catalysts were determined using X-ray absorption near edge structure measurements, showing that these species were present primarily as Cu 0 and Zr 4+, respectively. It was found that the formation of Cu-ZrO 2 interfacial sites increased the turnover frequency by an order of magnitude in both the conversion of ethanol to ethyl acetate and the synthesis of methanol from CO 2 and H 2 .

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 communication0.0010.000
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 head0.010
GPT teacher head0.235
Teacher spread0.225 · 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

Citations183
Published2016
Admission routes1
Has abstractyes

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