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Record W2605816610 · doi:10.1021/acs.jpclett.7b00618

Monovalent versus Divalent Cation Diffusion in Thiospinel Ti<sub>2</sub>S<sub>4</sub>

2017· article· en· W2605816610 on OpenAlexafffund
Patrick Bonnick, Xiaoqi Sun, Ka-Cheong Lau, Chen Liao, Linda F. Nazar

Bibliographic record

VenueThe Journal of Physical Chemistry Letters · 2017
Typearticle
Languageen
FieldChemistry
TopicInorganic Chemistry and Materials
Canadian institutionsUniversity of Waterloo
FundersBasic Energy SciencesNatural Sciences and Engineering Research Council of Canada
KeywordsDivalentDiffusionCrystallographyChemistryMaterials sciencePhysicsThermodynamicsOrganic chemistry

Abstract

fetched live from OpenAlex

Diffusion coefficients ( D ) for both Li + and Mg 2+ in Ti 2 S 4 were measured using the galvanic intermittent titration technique (GITT) as a function of both ion concentration ( x ) and temperature. During discharge at 60 °C, D Li descends gradually from 2 × 10 –8 cm 2 /s at x Li ≈ 0 to 2 × 10 –9 cm 2 /s at x Li ≈ 1.9. In contrast, D Mg decreases sharply from 2 × 10 –8 to 1 × 10 –12 cm 2 /s by x Mg ≈ 0.8. This kinetic factor limits the maximum practical discharge capacity of Mg x Ti 2 S 4 . The difference in behavior vis a vis Li + implies that either increasing Mg 2+ occupation of the tetrahedral site at x Mg > 0.6 and/or interactions between diffusing cations play a larger role in mediating the diffusion of divalent compared to monovalent cations. Diffusion activation energies ( E a ) extracted from the temperature-dependent data revealed that E a,Mg (540 ± 80 meV) is about twice that of E a,Li (260 ± 50 meV), explaining the poorer electrochemical performance of Mg x Ti 2 S 4 at room temperature.

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 score0.002
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
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 head0.013
GPT teacher head0.240
Teacher spread0.226 · 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

Citations42
Published2017
Admission routes2
Has abstractyes

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