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Record W4353041861 · doi:10.1021/acscatal.3c00286

Engineering Morphology and Ni Substitution of Ni<i><sub>x</sub></i>Co<sub>3–<i>x</i></sub>O<sub>4</sub> Spinel Oxides to Promote Catalytic Combustion of Ethane: Elucidating the Influence of Oxygen Defects

2023· article· en· W4353041861 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueACS Catalysis · 2023
Typearticle
Languageen
FieldMaterials Science
TopicCatalytic Processes in Materials Science
Canadian institutionsUniversity of British Columbia
FundersChina Petrochemical CorporationChina Postdoctoral Science FoundationCentral University Basic Research Fund of ChinaNational Natural Science Foundation of China
KeywordsCatalysisSpinelDensity functional theoryRedoxTransition metalVacancy defectDissociation (chemistry)ChemistryPhysical chemistryInorganic chemistryMaterials scienceCrystallographyComputational chemistry

Abstract

fetched live from OpenAlex

Transition metal oxides are potential alternatives to noble metal catalysts for oxidation reactions. Co-based spinel oxides, in particular, have attracted significant attention. Herein, Ni x Co 3– x O 4 catalysts were synthesized to elucidate the influence of oxygen vacancies on catalyst activities and reaction mechanisms for ethane combustion. A correlation between the activity and the population and properties of O defects was developed, with an increased number of O defects typically resulting in higher activity. Also, the shape-induced facet effect is related to the amount of Ni that is incorporated into the octahedral sites of Co oxide. The substituted Ni atoms altered the redox ability of Ni x Co 3– x O 4 by changing O vacancy formation and C–H bond dissociation. The NiCo 2 O 4 -TM catalyst (6.0 mmol mL –1 h –1 ) exhibits the highest activity for ethane oxidation compared with NiCo 2 O 4 -PC (0.5 mmol mL –1 h –1 ) and NiCo 2 O 4 -OL catalysts (1.3 mmol mL –1 h –1 ) at 330 °C, and its activation energy (E a ) is 70.9 kJ mol –1 . No activity decay is observed after the initial transition stage of the reaction in a long-term stability test up to 500 h on the NiCo 2 O 4 -TM-coated monolith, either with or without water addition. A vacancy-mediated pathway was proposed according to in situ diffuse reflectance infrared Fourier transform (DRIFT) and density functional theory (DFT) calculations over the NiCo 2 O 4 (311) facet. Findings from this study expand our understanding of the facet-dependent catalytic behavior and ultimately enable the rational design of high-performance catalysts.

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.

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.003
metaresearch head score (Gemma)0.003
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
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 score0.027
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0030.003
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0010.003
Science and technology studies0.0000.001
Scholarly communication0.0000.001
Open science0.0010.001
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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 head0.236
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