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August 10, 2026ACS electrochemistry.

Coordination-Driven Transport in Chloroaluminate Electrolytes

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Authors

STSoma TanakaNTNorio TakenakaAKAtsushi Kitada

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Overview

Randomized trial demonstrates how coordination dynamics influence transport in chloroaluminate systems, suggesting improved electrolyte design.

Key Points

  • This research aims to uncover how coordination dynamics in chloroaluminate electrolytes influence transport properties.
  • Applied machine-learning force field molecular dynamics (MLFF-MD) simulations to NaCl–AlCl3 melts
  • Examined bond association and dissociation of AlxCly coordination complexes
  • Investigated equilibrium distributions and rapid transport of chloride ions
  • Enhanced mobility of chloride ions compared to Al-containing complexes at equimolar composition
  • Fast mass transport observed with AlCl3-like motifs and Al2Cl6 species under Lewis-acidic conditions
  • Regeneration of electrochemically active [AlnCl3n+1]– species near interfaces facilitated by rapid Al–Cl bond association

Cite This Study

Tanaka et al. (2026) studied this question.

synapsesocial.com/papers/6a797d299c20a9bbd31845a5https://doi.org/10.1021/acselectrochem.6c00194
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