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Record W4323075315 · doi:10.1002/aenm.202203354

Atomic‐Scale Revealing the Structure Distribution between LiMO<sub>2</sub> and Li<sub>2</sub>MnO<sub>3</sub> in Li‐Rich and Mn‐Based Oxide Cathode Materials

2023· article· en· W4323075315 on OpenAlexaff
Haoxiang Zhuo, Haoyang Peng, Biwei Xiao, Zhenyao Wang, Xingge Liu, Zhao Li, Guohua Li, Xiangtao Bai, Ligen Wang, Xiaowei Huang, Jingsong Wu, Wei Quan, Jiantao Wang, Weidong Zhuang, Xueliang Sun

Bibliographic record

VenueAdvanced Energy Materials · 2023
Typearticle
Languageen
FieldEngineering
TopicAdvancements in Battery Materials
Canadian institutionsWestern University
FundersGeneral Research Institute for Nonferrous MetalsBeijing Municipal Science and Technology CommissionNational Synchrotron Radiation LaboratoryNational Natural Science Foundation of ChinaNatural Science Foundation of Beijing MunicipalitySalt Science Research Foundation
KeywordsMaterials scienceCathodeElectrochemistryLithium (medication)Atomic unitsManganese oxideDensity functional theoryOxideElectronic structureManganeseChemical physicsRedoxIonElectrodePhysical chemistryComputational chemistryChemistryPhysics

Abstract

fetched live from OpenAlex

Abstract Lithium‐rich and manganese‐based oxide (LRMO) cathode materials are regarded as promising cathode materials for lithium‐ion batteries with anionic redox characteristics and higher specific energy density. However, the complex initial structure and complicated reaction mechanism of LRMO is controversial. Herein, the reaction mechanism and unusual electrochemical phenomena are reconsidered after proposing the concept of structure distribution between Li 2 MnO 3 and LiMO 2 structures. The initial structure states show different types of composition characteristics of Li 2 MnO 3 and LiMO 2 , including “large and isolated distribution” and “uniformly dispersed distribution” characteristics, as summarized by multiple aberration correction scanning transmission electron microscopy observations at the atomic‐scale for cross sectional samples. Based on the density functional theory calculations, X‐ray absorption spectroscopy, and atomic‐scale observations during the different voltage states, the results accordingly suggest that the distribution characteristic is the essential cause of the unusual behavior in LRMO. It governs the reaction behavior, leading to the changes in electronic structure of O 2p and TM 3d , and the maintenance of layered structure, reversibility of the anionic redox, as well as, the voltage hysteresis. This work constructs the interrelationships of electrochemical behavior—distribution characteristic—reaction mechanism, contributing to the further application of LRMO materials in the electric vehicle market.

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)0.001
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 score0.022
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.001
Open science0.0000.000
Research integrity0.0010.000
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 head0.008
GPT teacher head0.220
Teacher spread0.212 · 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

Citations69
Published2023
Admission routes1
Has abstractyes

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