High Room-Temperature Magnesium Ion Conductivity in Spinel-Type MgYb2Se4 Solid Electrolyte
Source abstract
Abstract
High Resolution Image Download MS PowerPoint Slide We present three magnesium selenide spinels, MgSc 0.4 Y 0.4 Er 0.4 Tm 0.4 Yb 0.4 Se 4, Mg 0.75 Sc 2 Se 3.5 Br 0.5 and MgYb 2 Se 4, as potential solid electrolytes (SE) for magnesium batteries. In particular, the latter spinel exhibits a room-temperature ionic conductivity exceeding 10 –4 S cm –1 and a low Mg 2+ 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 2 Se 4 exhibits lower electronic conductivity compared to previously studied MgB 2 Se 4 spinels (B = Sc, Y, Er, Tm) and a good electrochemical stability, making it a strong candidate for Mg 2+ SE applications.
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Research context
OpenAlex topics: Crystal Structures and Properties · Solid-state spectroscopy and crystallography · Inorganic Chemistry and Materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Institute of Physical Chemistry and Center for Materials Research (ZfM), Justus Liebig University Giessen, Heinrich-Buff-Ring 17, Giessen 35392, Germany
Institute of Theoretical Chemistry, Ulm University, Albert-Einstein-Allee 11, Ulm 89081, Germany
Department of Chemistry and the Waterloo Institute for Nanotechnology
University of Waterloo
Institute for Applied Materials-Energy Storage Systems (IAM-ESS), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, Eggenstein-Leopoldshafen 76344, Germany
Institute of Analytical and Bioanalytical Chemistry
Ulm University
Funding
Deutsche Forschungsgemeinschaft
References (59)
Show source-provided references
1. 10.1002/aenm.20200078710.1002/aenm.202000787 ↗
2. 10.1038/s41560-020-0655-010.1038/s41560-020-0655-0 ↗
3. 10.3389/fchem.2020.0012510.3389/fchem.2020.00125 ↗
4. 10.1016/0167-2738(87)90091-910.1016/0167-2738(87)90091-9 ↗
5. 10.1021/acs.jpcc.6b0503610.1021/acs.jpcc.6b05036 ↗
6. 10.1016/S0038-1098(01)00386-610.1016/S0038-1098(01)00386-6 ↗
7. 10.1080/14686996.2020.173023710.1080/14686996.2020.1730237 ↗
8. 10.1016/j.ssi.2013.10.03710.1016/j.ssi.2013.10.037 ↗
9. 10.1016/j.ssi.2021.11556610.1016/j.ssi.2021.115566 ↗
10. 10.1016/j.jma.2017.09.00510.1016/j.jma.2017.09.005 ↗
11. 10.1039/C9TA11729F10.1039/C9TA11729F ↗
12. 10.1021/acs.chemmater.2c0364110.1021/acs.chemmater.2c03641 ↗
13. 10.1016/j.ensm.2022.07.01210.1016/j.ensm.2022.07.012 ↗
14. 10.1002/aenm.20240226910.1002/aenm.202402269 ↗
15. 10.1021/acs.chemmater.1c0417810.1021/acs.chemmater.1c04178 ↗
16. 10.1021/jacsau.1c0050510.1021/jacsau.1c00505 ↗
17. 10.1002/aenm.20230255010.1002/aenm.202302550 ↗
18. 10.1039/C9CC09510A10.1039/C9CC09510A ↗
19. 10.1038/s41467-017-01772-110.1038/s41467-017-01772-1 ↗
20. 10.1103/PhysRevMaterials.3.11440810.1103/PhysRevMaterials.3.114408 ↗
21. 10.1103/PhysRevB.99.13443810.1103/PhysRevB.99.134438 ↗
22. 10.1107/S0365110X6500269410.1107/S0365110X65002694 ↗
23. 10.1021/acsmaterialslett.2c0066710.1021/acsmaterialslett.2c00667 ↗
24. 10.1021/jacs.8b1028210.1021/jacs.8b10282 ↗
25. 10.1021/acsmaterialslett.1c0081710.1021/acsmaterialslett.1c00817 ↗
26. 10.1021/acs.inorgchem.0c0150410.1021/acs.inorgchem.0c01504 ↗
27. 10.1126/science.abq134610.1126/science.abq1346 ↗
28. 10.1039/C6TA03249D10.1039/C6TA03249D ↗
29. 10.1002/aenm.20230198010.1002/aenm.202301980 ↗
30. 10.1007/BF0237608310.1007/BF02376083 ↗
31. 10.1021/acs.chemmater.7b0290910.1021/acs.chemmater.7b02909 ↗
32. 10.1016/j.apmt.2021.10099810.1016/j.apmt.2021.100998 ↗
33. 10.1002/ente.20220089610.1002/ente.202200896 ↗
34. 10.1038/s41427-022-00394-410.1038/s41427-022-00394-4 ↗
35. 10.1002/batt.20220031810.1002/batt.202200318 ↗
36. 10.1021/acs.jpclett.2c0231610.1021/acs.jpclett.2c02316 ↗
37. 10.1002/aesr.20217003210.1002/aesr.202170032 ↗
38. 10.1103/PhysRevB.64.18430710.1103/PhysRevB.64.184307 ↗
39. 10.1016/j.coelec.2024.10149410.1016/j.coelec.2024.101494 ↗
40. Goldschmidt V. M. · Z. Phys. Chem. · 1927 · 127 · 446
41. Patrie M. · Colloq. Int. C. N. R. S. · 1967 · 157 · 397
42. Guittard M. · Inorg. Chem. · 1965 · 4 · 97010.1021/ic50029a010 ↗
43. Guittard M. · C. R. Hebd. Acad. Sci. · 1964 · 259 · 2847
44. 10.1107/S0365110X6000033910.1107/S0365110X60000339 ↗
45. 10.1063/1.166094610.1063/1.1660946 ↗
46. 10.1103/PhysRevB.16.440410.1103/PhysRevB.16.4404 ↗
47. Avilov A. S. · Sov. Phys. Crystallogr. · 1969 · 14 · 259
48. 10.1016/0925-8388(94)01394-210.1016/0925-8388(94)01394-2 ↗
49. Slovyanskikh V. K. · Russ. J. Inorg. Chem. · 1982 · 27 · 745
50. 10.1063/1.481232310.1063/1.4812323 ↗
51. 10.1021/acsami.7b0113710.1021/acsami.7b01137 ↗
52. 10.1103/PhysRev.136.B86410.1103/PhysRev.136.B864 ↗
53. 10.1103/PhysRev.140.A113310.1103/PhysRev.140.A1133 ↗
54. 10.1103/PhysRevLett.77.386510.1103/PhysRevLett.77.3865 ↗
55. 10.1103/PhysRevB.50.1795310.1103/PhysRevB.50.17953 ↗
56. 10.1103/PhysRevB.54.1116910.1103/PhysRevB.54.11169 ↗
57. 10.1103/PhysRevB.47.55810.1103/PhysRevB.47.558 ↗
58. 10.1103/PhysRevB.59.175810.1103/PhysRevB.59.1758 ↗
59. 10.1063/1.132967210.1063/1.1329672 ↗