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Record W3101807566 · doi:10.1038/s41467-020-19438-w

Copper-zirconia interfaces in UiO-66 enable selective catalytic hydrogenation of CO2 to methanol

2020· article· en· W3101807566 on OpenAlexfundno aff
Yifeng Zhu, Jian Zheng, Jingyun Ye, Yanran Cui, Katherine Koh, Libor Kovařík, Donald M. Camaioni, John L. Fulton, Donald G. Truhlar, Matthew Neurock, Christopher J. Cramer, Oliver Y. Gutiérrez, Johannes A. Lercher

Bibliographic record

VenueNature Communications · 2020
Typearticle
Languageen
FieldChemical Engineering
TopicCatalysts for Methane Reforming
Canadian institutionsnot available
FundersPacific Northwest National LaboratoryArgonne National LaboratoryBasic Energy SciencesBiological and Environmental ResearchOffice of ScienceCanadian Light SourceU.S. Department of Energy
KeywordsCatalysisMethanolSelectivityCubic zirconiaAdsorptionCopperMetal-organic frameworkLinkerWater-gas shift reactionNanoparticleMetalChemical engineeringMaterials scienceChemistryInorganic chemistryNanotechnologyOrganic chemistryMetallurgyCeramic

Abstract

fetched live from OpenAlex

Abstract Molecular interactions with both oxides and metals are essential for heterogenous catalysis, leading to remarkable synergistic impacts on activity and selectivity. Here, we show that the direct link between the two phases (and not merely being together) is required to selectively hydrogenate CO 2 to methanol on catalysts containing Cu and ZrO 2 . Materials consisting of isolated Cu particles or atomically dispersed Cu–O–Zr sites only catalyze the reverse water-gas shift reaction. In contrast, a metal organic framework structure (UiO-66) with Cu nanoparticles occupying missing-linker defects maximizes the fraction of metallic Cu interfaced to ZrO 2 nodes leading to a material with high adsorption capacity for CO 2 and high activity and selectivity for low-temperature methanol synthesis.

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 head0.022
GPT teacher head0.291
Teacher spread0.269 · 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

Citations201
Published2020
Admission routes1
Has abstractyes

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Same venueNature CommunicationsSame topicCatalysts for Methane ReformingFrench-language works237,207