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Record W3096543540 · doi:10.1126/science.aay9972

Rational design of layered oxide materials for sodium-ion batteries

2020· article· en· W3096543540 on OpenAlexaff
Chenglong Zhao, Zhenpeng Yao, Jianlin Wang, Benjamín Sánchez-Lengeling, Feixiang Ding, Xingguo Qi, Yaxiang Lu, Xuedong Bai, Baohua Li, Hong Li, Alán Aspuru‐Guzik, Xuejie Huang, Claude Delmas, Marnix Wagemaker, Liquan Chen, Yong‐Sheng Hu

Bibliographic record

VenueScience · 2020
Typearticle
Languageen
FieldEngineering
TopicAdvancements in Battery Materials
Canadian institutionsUniversity of Toronto
FundersBeijing Municipal Science and Technology CommissionNederlandse Organisatie voor Wetenschappelijk OnderzoekInnovative Research Group Project of the National Natural Science Foundation of China
KeywordsOctahedronLithium (medication)OxideIonSodiumStoichiometryMaterials scienceLithium cobalt oxideMetalTransition metalTrigonal prismatic molecular geometryCobaltInorganic chemistryCobalt oxideTrigonal crystal systemCrystallographyCrystal structureChemistryMetallurgyLithium-ion batteryPhysical chemistryBattery (electricity)ThermodynamicsPhysics

Abstract

fetched live from OpenAlex

Sodium-ion batteries have captured widespread attention for grid-scale energy storage owing to the natural abundance of sodium. The performance of such batteries is limited by available electrode materials, especially for sodium-ion layered oxides, motivating the exploration of high compositional diversity. How the composition determines the structural chemistry is decisive for the electrochemical performance but very challenging to predict, especially for complex compositions. We introduce the "cationic potential" that captures the key interactions of layered materials and makes it possible to predict the stacking structures. This is demonstrated through the rational design and preparation of layered electrode materials with improved performance. As the stacking structure determines the functional properties, this methodology offers a solution toward the design of alkali metal layered oxides.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
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 score0.001
Threshold uncertainty score0.005

Distilled classifier scores by category (both heads)

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 communication0.0010.001
Open science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0010.001

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 head0.042
GPT teacher head0.267
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 source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
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

Citations1,433
Published2020
Admission routes1
Has abstractyes

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