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Record W4367609662 · doi:10.1021/acs.jpcc.2c08847

Surface Basicity Controlled Degradation and Recoverability of Proton Conducting Perovskites, BaZr<sub>0.8</sub>Ce<sub>0.1</sub>Y<sub>0.1</sub>O<sub>3−δ</sub> and Ba<sub>0.5</sub>Sr<sub>0.5</sub>Ce<sub>0.6</sub>Zr<sub>0.2</sub>Gd<sub>0.1</sub>Y<sub>0.1</sub>O<sub>3−δ</sub>, in the Presence of CO<sub>2</sub>

2023· article· en· W4367609662 on OpenAlexafffund
Javier C. Mora, Kalpana Singh, Josephine M. Hill, Venkataraman Thangadurai, Sathish Ponnurangam

Bibliographic record

VenueThe Journal of Physical Chemistry C · 2023
Typearticle
Languageen
FieldMaterials Science
TopicAdvancements in Solid Oxide Fuel Cells
Canadian institutionsUniversity of Calgary
FundersNatural Sciences and Engineering Research Council of CanadaUniversity of Calgary
KeywordsNucleationPerovskite (structure)Raman spectroscopyCarbonationCeriumChemical engineeringChemistryX-ray photoelectron spectroscopyIsothermal processMaterials scienceInorganic chemistryAnalytical Chemistry (journal)CrystallographyThermodynamics

Abstract

fetched live from OpenAlex

A fundamental understanding of carbonation kinetics is essential for the development of durable proton conducting electrolysis cells that can electrochemically convert CO 2 into fuels. The degradation behavior of two representative proton conducting perovskite materials, BaZr 0.8 Ce 0.1 Y 0.1 O 3−δ (BZCY811) with low cerium content and strontium-containing Ba 0.5 Sr 0.5 Ce 0.6 Zr 0.2 Gd 0.1 Y 0.1 O 3−δ (BSCZGY6211), was studied and analyzed using different solid–gas reaction models. These perovskite compositions are promising candidates for various electrochemical applications where a combination of high conductivity and high stability is required such as for direct CO 2 conversion to fuels (or syngas). The kinetic stability of these two compositions under CO 2 (and CO) was evaluated using X-ray diffraction, X-ray photoelectron spectroscopy, micro-Raman spectroscopy, CO 2 temperature-programmed desorption, and N 2 physisorption. Kinetic analysis of the isothermal solid–gas reaction indicated that BZCY811 powders were partially carbonated according to a first-order nucleation/nuclei growth mechanism, in which oxygen vacancies act as active nucleation sites. The degradation was not complete as a protective external carbonate layer was formed, which maintained the internal crystalline structure of BZCY811. In contrast, BSCZGY6211 was kinetically stable in the presence of CO 2 with no signs of degradation at high pressures (2.0 MPa). The higher kinetic stability of the latter composition is rationalized in terms of its higher surface acidity.

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)0.025
metaresearch head score (Gemma)0.013
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMetaresearch, Meta-epidemiology (narrow), Meta-epidemiology (broad), Science and technology studies, Scholarly communication, Open science, Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Science and technology studies, Research integrity
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 score0.015
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0250.013
Meta-epidemiology (narrow)0.0120.012
Meta-epidemiology (broad)0.0160.007
Bibliometrics0.0030.012
Science and technology studies0.0060.011
Scholarly communication0.0040.011
Open science0.0120.007
Research integrity0.0060.016
Insufficient payload (model declined to judge)0.0000.001

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 head0.024
GPT teacher head0.272
Teacher spread0.248 · 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; both teacher heads agree on what is shown here.

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

Citations7
Published2023
Admission routes2
Has abstractyes

Explore more

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