Work

Experimental study on Na+ conductivity in NaAlBr4 and atomic-scale investigation of Na+ conduction

Year: 2024

Type: article

Abstract: The ionic conduction properties of Li/Na metal halides have been extensively studied, with recent attention turning towards Al-based systems. However, limited studies have focused on alkali Al bromides. In this study, we explored the Na+ conduction properties of NaAlBr4. Conductivity measurements at 30 °C revealed a Na+ conductivity of 1.2 × 10−5 S/cm, surpassing that of isostructural NaAlCl4 threefold. Molecular dynamics (MD) simulations to elucidate the conduction mechanisms revealed that Na+ conduction was not observed in stoichiometric NaAlBr4, which has high formation energies of Na+ vacancies and interstitials (0.88 eV and 0.73 eV, respectively). Nevertheless, a conductivity of 1.2 × 10−5 S/cm was observed. The activation energy for ion conduction was experimentally determined as 0.43 eV, and the migration energies were calculated as 0.26 eV (Na+ vacancies) and 0.16 eV (Na+ interstitials) by MD simulations. These discrepancies in ion conduction were partially explained by the role of transient defects enriched via ball milling in facilitating Na+ conduction on the particle surface, offering insights into the complex ion conduction of ball-milled NaAlBr4.

Source: Journal of Solid State Electrochemistry

DOI: 10.1007/s10008-024-06086-z

Authors: Reona Miyazaki, Masanobu Nakayama, Takehiko Hihara

Institution: Nagoya Institute of Technology

Language: English

Topic: Advanced Battery Materials and Technologies

Subfield: Electrical and Electronic Engineering

Field: Engineering

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $3,590

Funders: Nagoya Institute of Technology, NAGAI Foundation for Science and Technology, Japan Society for the Promotion of Science