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Record W2800678792 · doi:10.1021/acs.inorgchem.8b00571

Structure Evolution and Reactivity of the Sc<sub>(2–<i>x</i>)</sub>V<sub><i>x</i></sub>O<sub>3+δ</sub> (0 ≤ <i>x</i> ≤ 2.0) System

2018· article· en· W2800678792 on OpenAlexafffund
Joey A. Lussier, Fabian J. Simon, Pamela S. Whitfield, Kalpana Singh, Venkataraman Thangadurai, Mario Bieringer

Bibliographic record

VenueInorganic Chemistry · 2018
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Condensed Matter Physics
Canadian institutionsUniversity of CalgaryUniversity of Manitoba
FundersNatural Sciences and Engineering Research Council of CanadaCanada Foundation for InnovationUniversity of Manitoba
KeywordsBixbyiteChemistryOxideRietveld refinementNeutron diffractionReactivity (psychology)ElectrolyteCrystallinityCrystallographyPhysical chemistryCrystal structureOrganic chemistryElectrode

Abstract

fetched live from OpenAlex

Solid oxide fuel cells (SOFCs) are solid-state electrochemical devices that directly convert chemical energy of fuels into electricity with high efficiency. Because of their fuel flexibility, low emissions, high conversion efficiency, no moving parts, and quiet operation, they are considered as a promising energy conversion technology for low carbon future needs. Solid-state oxide and proton conducting electrolytes play a crucial role in improving the performance and market acceptability of SOFCs. Defect fluorite phases are some of the most promising fast oxide ion conductors for use as electrolytes in SOFCs. We report the synthesis, structure, phase diagram, and high-temperature reactivity of the Sc(2–x)VxO3+δ (0 ≤ x ≤ 2.00) oxide defect model system. For all Sc(2–x)VxO3.0 phases with x ≤ 1.08 phase-pure bixbyite-type structures are found, whereas for x ≥ 1.68 phase-pure corundum structures are reported, with a miscibility gap found for 1.08 < x < 1.68. Structural details obtained from the simultaneous Rietveld refinements using powder neutron and X-ray diffraction data are reported for the bixbyite phases, demonstrating a slight V3+ preference toward the 8b site. In situ X-ray diffraction experiments were used to explore the oxidation of the Sc(2–x)VxO3.0 phases. In all cases ScVO4 was found as a final product, accompanied by Sc2O3 for x < 1.0 and V2O5 when x > 1.0; however, the oxidative pathway varied greatly throughout the series. Comments are made on different synthesis strategies, including the effect on crystallinity, reaction times, rate-limiting steps, and reaction pathways. This work provides insight into the mechanisms of solid-state reactions and strategic guidelines for targeted materials 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 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 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 score0.004
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.001
Science and technology studies0.0000.001
Scholarly communication0.0000.000
Open science0.0010.001
Research integrity0.0000.001
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 head0.003
GPT teacher head0.180
Teacher spread0.177 · 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

Citations3
Published2018
Admission routes2
Has abstractyes

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