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Record W3207660353 · doi:10.1021/acs.jpcc.0c05428.s001

Kinetics and Mechanism of Turanite Reduction by Hydrogen

2020· article· en· W3207660353 on OpenAlexaff
Mireille Ghoussoub, Paul N. Duchesne, Meikun Xia, Abdinoor Jelle, Shoushou He, Navid Soheilnia, Geoffrey A. Ozin

Bibliographic record

VenueFigshare · 2020
Typearticle
Languageen
FieldEnergy
TopicIron oxide chemistry and applications
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsChemistryX-ray photoelectron spectroscopyThermogravimetryDiffuse reflectance infrared fourier transformCatalysisSpectroscopyKineticsActivation energyAnalytical Chemistry (journal)Fourier transform infrared spectroscopyInfrared spectroscopyDiffusionPhysical chemistryInorganic chemistryChemical engineering

Abstract

fetched live from OpenAlex

Turanite, Cu<sub>5</sub>(VO<sub>4</sub>)<sub>2</sub>(OH)<sub>4</sub>, is a naturally occurring mineral whose physical and chemical properties are of interest for magnetic data storage, battery applications, and catalysis. In this study, the reduction of nanostructured Cu<sub>5</sub>(VO<sub>4</sub>)<sub>2</sub>(OH)<sub>4</sub> by H<sub>2</sub> is investigated using a combination of scanning transmission electron microscopy–electron energy-loss spectroscopy, X-ray photoelectron spectroscopy, <i>in situ</i> diffuse reflectance infrared Fourier transform spectroscopy, <i>in situ</i> X-ray absorption spectroscopy, first-principles calculations, and kinetic analysis based on thermogravimetry. A two-step mechanism is proposed, in which Cu<sub>5</sub>(VO<sub>4</sub>)<sub>2</sub>(OH)<sub>4</sub> is first reduced, following exponential growth kinetics, to form a stable intermediate consisting of a mix of Cu<sub>3</sub>VO<sub>4</sub>, Cu<sub>2</sub>O, and CuV<sub>2</sub>O<sub>5</sub>. The intermediate phase is then subsequently reduced in a 3-D diffusion-limited process to form two segregated phases consisting of Cu metal and V<sub>2</sub>O<sub>3</sub> particles. The apparent energy barriers for these two steps, obtained from the kinetic analysis, were found to be 52.5 and 71.2 kJ mol<sup>–1</sup> for Stages 1 and 2 of the reduction, respectively. These results highlight the importance of developing a rigorous understanding of the reduction processes involved in metal oxide catalyst preparation.

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 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)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.627
Threshold uncertainty score0.978

Codex and Gemma teacher scores by category

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)0.0230.000

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 head0.025
GPT teacher head0.218
Teacher spread0.193 · 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 teacher head, not a consensus.

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

Citations0
Published2020
Admission routes1
Has abstractyes

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