High Room-Temperature Magnesium Ion Conductivity in Spinel-Type MgYb<sub>2</sub>Se<sub>4</sub> Solid Electrolyte
We present three magnesium selenide spinels, MgSc<sub>0.4</sub>Y<sub>0.4</sub>Er<sub>0.4</sub>Tm<sub>0.4</sub>Yb<sub>0.4</sub>Se<sub>4</sub>, Mg<sub>0.75</sub>Sc<sub>2</sub>Se<sub>3.5</sub>Br<sub>0.5</sub> and MgYb<sub>2</sub>Se<sub>4</sub>, as potential solid electrolytes (SE) for magnesium batteries. In particular, the latter spinel exhibits a room-temperature ionic conductivity exceeding 10<sup>-4</sup> S cm<sup>-1</sup> and a low Mg<sup>2+</sup> migration barrier of 364 meV. The high ionic mobility is attributed to the low magnesium insertion energy revealed by density functional theory (DFT), which indicates a weak binding interaction between magnesium ions and the host lattice. Furthermore, like the two multicomponent spinels, MgYb<sub>2</sub>Se<sub>4</sub> exhibits lower electronic conductivity compared to previously studied MgB<sub>2</sub>Se<sub>4</sub> spinels (B = Sc, Y, Er, Tm) and a good electrochemical stability, making it a strong candidate for Mg<sup>2+</sup> SE applications.
Authors
- Manuel Dillenz (ORCID: https://orcid.org/0000-0002-4901-154X)
- Mohsen Sotoudeh (ORCID: https://orcid.org/0000-0002-0970-5336)
- Sylvio Indris (ORCID: https://orcid.org/0000-0002-5100-113X)
- Zhuojun Wei
- Riccarda Müller (ORCID: https://orcid.org/0009-0007-7189-9411)
- Clarissa Glaser (ORCID: https://orcid.org/0000-0003-4561-8982)
- Kerstin Leopold (ORCID: https://orcid.org/0000-0003-0586-7239)
- Linda F. Nazar (ORCID: https://orcid.org/0000-0002-3314-8197)
- Axel Groß (ORCID: https://orcid.org/0000-0003-4037-7331)
- Kanchan Sarkar (ORCID: https://orcid.org/0000-0002-0025-7055)
- Jürgen Janek (ORCID: https://orcid.org/0000-0002-9221-4756)
- Shashwat Singh (ORCID: https://orcid.org/0000-0002-4163-219X)
- Jasmin S. Bark
Institutions
- Karlsruhe Institute of Technology (DE)
- University of Waterloo (CA)
- Universität Ulm (DE)
- Justus-Liebig-Universität Gießen (DE)
Publication Details
- Journal
- Chemistry of Materials
- Published
- 2025-05-03
- DOI
- https://doi.org/10.1021/acs.chemmater.5c00131
- Citations
- 2
- Primary Topic
- Crystal Structures and Properties
- Type
- article
- Field-Weighted Citation Impact
- 0.85
Funders
- Deutsche Forschungsgemeinschaft