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Record W4416292416 · doi:10.1002/chem.202502902

A Redox‐Tunable Carborane Crown: Toward Highly Selective Electrochemical Lithium Capture

2025· article· en· W4416292416 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueChemistry - A European Journal · 2025
Typearticle
Languageen
FieldEngineering
TopicExtraction and Separation Processes
Canadian institutionsUniversity of Calgary
FundersUniversity of California, Santa BarbaraUniversity of Calgary
KeywordsElectrochemistryCarboraneBinding energyFaraday efficiencyExtraction (chemistry)Gibbs free energyMembraneLithium (medication)

Abstract

fetched live from OpenAlex

Abstract Lithium is a critical element with a projected exponential rise in demand due to its widespread use in battery energy storage. New methods to extract Li + , such as through membrane adsorption‐based direct Li + extraction (DLE) technologies, are at various stages of development and aim to separate Li + from brine and even seawater. In this report, we present a fundamentally new class of highly selective Li + ‐capture agent, the carborane‐crown compound, 1,2‐((6,6,7,7‐Me 4 )14‐crown‐4)‐ ortho ‐carborane ( 14C4 Cb ), which is electrochemically activated for strong, selective Li + binding over Na + and K + . This newly synthesized extractant features a redox‐tunable cavity size, giving rise to tunable binding constants for Li + capture, favorable coulombic interactions between the reduced anionic capture agent and the Li + cations, and boasts the benefit of rapid, electrochemically driven capture kinetics. Weak, negligible binding to Li + was observed in the neutral “ closo ” carborane state ( 14C4 Cb ), whereas strong binding was observed in the cage‐opened reduced nido state ( 14C4 Cb 2− ). Equilibrium ( K ) binding constants were measured through experimental and simulated voltammetry, yielding the following log K metal (experimental; simulation ) values: log K Li (6.8 ± 0.6; 8.0 ), log K Na (3.7 ± 0.2; 4.9 ), log K K (1.7 ± 0.2; 2.2 ). Rapid mass transport of Li + to the electrode surface resulted in the simulated value (log K Li = 8.0) representing a lower‐limit value for log K Li as described herein. The observed strong binding to Li + over Na + and K + is attributed to both the favorable redox‐tunable crown cavity size of the 14C4 Cb/ 14C4 Cb 2− couple, combined with strong coulombic interactions in the reduced nido state. This platform offers a potential new, rapid, and highly selective technique for Li + capture in next‐generation electrochemical DLE technologies.

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.

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: none
Teacher disagreement score0.742
Threshold uncertainty score0.847

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 integrity0.0000.001
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 head0.006
GPT teacher head0.215
Teacher spread0.209 · 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