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Record W4376871816 · doi:10.1021/jacs.3c01955

Hopping Rate and Migration Entropy as the Origin of Superionic Conduction within Solid-State Electrolytes

2023· article· en· W4376871816 on OpenAlexafffund
Xiaona Li, Honggang Liu, Changtai Zhao, Jung Tae Kim, Jiamin Fu, Xiaoge Hao, Weihan Li, Ruying Li, Ning Chen, Duanyun Cao, Zhenwei Wu, Yuefeng Su, Jianwen Liang, Xueliang Sun

Bibliographic record

VenueJournal of the American Chemical Society · 2023
Typearticle
Languageen
FieldEngineering
TopicAdvanced Battery Materials and Technologies
Canadian institutionsCanadian Light Source (Canada)Western University
FundersNatural Sciences and Engineering Research Council of CanadaWestern UniversityOntario Research FoundationCanada Foundation for InnovationNational Natural Science Foundation of ChinaGuangdong Science and Technology DepartmentCanada Research ChairsNational Postdoctoral Program for Innovative TalentsNatural Science Foundation of ChongqingUniversity of Saskatchewan
KeywordsChemistryIonic conductivityConductivityThermal conductionFast ion conductorElectrolyteIonChemical physicsIonic bondingScalingCondensed matter physicsThermodynamicsElectrodePhysical chemistryPhysics

Abstract

fetched live from OpenAlex

Inorganic solid-state electrolytes (SSEs) have gained significant attention for their potential use in high-energy solid-state batteries. However, there is a lack of understanding of the underlying mechanisms of fast ion conduction in SSEs. Here, we clarify the critical parameters that influence ion conductivity in SSEs through a combined analysis approach that examines several representative SSEs (Li 3 YCl 6, Li 3 HoCl 6, and Li 6 PS 5 Cl), which are further verified in the x LiCl-InCl 3 system. The scaling analysis on conductivity spectra allowed the decoupled influences of mobile carrier concentration and hopping rate on ionic conductivity. Although the carrier concentration varied with temperature, the change alone cannot lead to the several orders of magnitude difference in conductivity. Instead, the hopping rate and the ionic conductivity present the same trend with the temperature change. Migration entropy, which arises from lattice vibrations of the jumping atoms from the initial sites to the saddle sites, is also proven to play a significant role in fast Li + migration. The findings suggest that the multiple dependent variables such as the Li + hopping frequency and migration energy are also responsible for the ionic conduction behavior within SSEs.

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 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 score0.003
Threshold uncertainty score0.175

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)0.0000.000

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 head0.009
GPT teacher head0.245
Teacher spread0.235 · 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.

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

Citations56
Published2023
Admission routes2
Has abstractyes

Explore more

Same venueJournal of the American Chemical SocietySame topicAdvanced Battery Materials and TechnologiesFrench-language works237,207