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Record W4403218319 · doi:10.1002/anie.202416899

Highly Dispersed ZnO Sites in a ZnO/ZrO <sub>2</sub> Catalyst Promote Carbon Dioxide‐to‐Methanol Conversion

2024· article· en· W4403218319 on OpenAlexfundno aff
Xibo Zhang, Xiang Yu, Rafael G. Mendes, Peter Matvija, Angela E. M. Melcherts, Chunning Sun, Xinwei Ye, Bert M. Weckhuysen, Matteo Monai

Bibliographic record

VenueAngewandte Chemie International Edition · 2024
Typearticle
Languageen
FieldChemical Engineering
TopicCatalysts for Methane Reforming
Canadian institutionsnot available
FundersChinese Government ScholarshipNewfoundland and LabradorCentral European Research Infrastructure ConsortiumChina Scholarship CouncilNederlandse Organisatie voor Wetenschappelijk OnderzoekUniversiteit UtrechtMinisterstvo Školství, Mládeže a Tělovýchovy
KeywordsCatalysisMonoclinic crystal systemMethanolTetragonal crystal systemSelectivityMaterials scienceFormateDispersion (optics)Chemical engineeringInorganic chemistryPhase (matter)ChemistryCrystallographyCrystal structureOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract ZnO/ZrO 2 catalysts have shown better activity in the CO 2 hydrogenation to methanol compared with single component counterparts, but the interaction between ZnO and ZrO 2 is still poorly understood. In particular, the effect of the ZrO 2 support phase (tetragonal vs. monoclinic) was not systematically explored. Here, we have synthesized ZnO/ZrO 2 catalysts supported on tetragonal ZrO 2 (ZnO/ZrO 2 ‐t) and monoclinic ZrO 2 (ZnO/ZrO 2 ‐m), which resulted in the formation of different ZnO x species, consisting of sub‐nanometer ZnO moieties and large‐sized ZnO particles, respectively. ZnO/ZrO 2 ‐t exhibited a higher methanol selectivity (81 vs. 39 %) and methanol yield (1.25 vs. 0.67 mmol g −1 h −1 ) compared with ZnO/ZrO 2 ‐m. The difference in performance was attributed to the redox state and degree of dispersion of Zn, based on spectroscopy and microscopy results. ZnO/ZrO 2 ‐t had a high density of ZnO x ‐ZrO y sites, which favored the formation of active HCOO* species and enhanced the yield and selectivity of methanol along the formate pathway. Such ZnO clusters were further dispersed on ZrO 2 ‐t during catalysis, while larger ZnO particles on ZnO/ZrO 2 ‐m remained stable throughout the reaction. This study shows that the phase of ZrO 2 supports can be used to control the dispersion of ZnO and the catalyst surface chemistry, and lead to enhanced catalytic performance.

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 head0.010
GPT teacher head0.240
Teacher spread0.230 · 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

Citations28
Published2024
Admission routes1
Has abstractyes

Explore more

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