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Record W4226430540 · doi:10.26434/chemrxiv-2021-cf3mz

Rational Design of Stable Four-Electron-Accepting Carbonyl-N-methylpyridinium Species for High-Performance Lithium-Ion Batteries

2021· preprint· en· W4226430540 on OpenAlexafffund
Xiaoming He, Xiujuan Wang, Wenhao Xue, Guangyuan Gao, Ling Chen, Thomas Baumgartner

Bibliographic record

VenueChemRxiv · 2021
Typepreprint
Languageen
FieldEngineering
TopicAdvancements in Battery Materials
Canadian institutionsYork University
FundersShaanxi Normal UniversityChina Postdoctoral Science FoundationNational Natural Science Foundation of ChinaCanada Research Chairs
KeywordsRedoxLithium (medication)Conjugated systemElectrochemistryDissolutionOrganic radical batteryMaterials scienceConductivityIonChemical engineeringMoleculeElectrodeBattery (electricity)Electron transport chainNanotechnologyCombinatorial chemistryChemistryInorganic chemistryPolymerOrganic chemistryPhysical chemistry

Abstract

fetched live from OpenAlex

Development of novel organics that exhibit multiple and stable redox states, limited solubility and improved conductivity is a highly rewarding direction for improving the performance of lithium-ion batteries (LIBs). As biologically derived organic molecules, carbonylpyridinium compounds have desirable and tunable redox properties, making them suitable candidates for battery applications. In this work, we report a structural evolution of carbonylpyridinium-based redox-active organics, from 2-electron accepting BMP to 4-electron accepting small, conjugated molecules (1, 2), and then to the corresponding conjugated polymers (CP1, CP2). Through suppression of dissolution and increasing electrochemical conductivity, the LIBs performance can be gradually enhanced. At a relatively high current of 0.5 A g-1, high specific capacities for 1 (100 mAh g-1), 2 (260 mAh g-1), CP1 (360 mAh g-1) and CP2 (540 mAh g-1) can be reached after 240 cycles. Particularly, the rate performance and cycling stability of CP2 surpasses many reported commercial inorganic and organic electrode materials. This work provides a promising new carbonylpyridinium-based building block featured with multiple redox centers, on the way to high performance Li-organic batteries.

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 score0.003

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 communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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 head0.037
GPT teacher head0.247
Teacher spread0.210 · 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

Citations0
Published2021
Admission routes2
Has abstractyes

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Same venueChemRxiv→Same topicAdvancements in Battery Materials→French-language works237,207→