Atomistic Assessments of Lithium-Ion Conduction Behavior in Glass–Ceramic Lithium Thiophosphates
Source abstract
Abstract
We determined the interatomic potentials of the Li-[PS43–] building block in (Li2S)0.75(P2S5)0.25 (LPS) and predicted the Li-ion conductivity (σLi) of glass–ceramic LPS from molecular dynamics. The Li-ion conduction characteristics in the crystalline/interfacial/glassy structure were decomposed by considering the structural ordering differences. The superior σLi of the glassy LPS could be attributed to the fact that ∼40% of its structure consists of the short-ranged cubic S-sublattice instead of the hexagonally close-packed γ-phase. This glassy LPS has a σLi of 4.08 × 10–1 mS cm–1, an improvement of ∼100 times relative to that of the γ-phase, which is in agreement with the experiments.
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Research context
OpenAlex topics: Advanced Battery Materials and Technologies · Advancements in Battery Materials · Glass properties and applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
High-Temperature Energy Materials Research Center, Korea Institute of Science and Technology, 5 Hwarang-ro 14-gil, Seongbuk-gu, Seoul 02792, Republic of Korea
Center for Energy Storage Research, Korea Institute of Science and Technology, 5 Hwarang-ro 14-gil, Seongbuk-gu, Seoul 02792, Republic of Korea
Funding
Defense Acquisition Program Administration · National Research Foundation of Korea · Ministry of Trade, Industry and Energy · Korea Institute of Energy Technology Evaluation and Planning
References (33)
Show source-provided references
1. 10.1016/0022-3093(85)90289-310.1016/0022-3093(85)90289-3 ↗
2. 10.1038/nmat121910.1038/nmat1219 ↗
3. 10.1038/nature0442110.1038/nature04421 ↗
4. 10.1016/0022-3093(69)90003-910.1016/0022-3093(69)90003-9 ↗
5. Holand W. · 2011
6. 10.1016/j.pmatsci.2011.07.00110.1016/j.pmatsci.2011.07.001 ↗
7. 10.1063/1.161620010.1063/1.1616200 ↗
8. 10.1038/natrevmats.2015.1110.1038/natrevmats.2015.11 ↗
9. 10.1002/anie.20035127810.1002/anie.200351278 ↗
10. 10.1063/1.501110510.1063/1.5011105 ↗
11. 10.1021/acsenergylett.7b0049710.1021/acsenergylett.7b00497 ↗
12. 10.1002/adma.20040128610.1002/adma.200401286 ↗
13. 10.1039/C3EE41655K10.1039/C3EE41655K ↗
14. 10.1039/C7TA06067J10.1039/C7TA06067J ↗
15. 10.1021/acsami.8b0420410.1021/acsami.8b04204 ↗
16. 10.1007/BF0061304110.1007/BF00613041 ↗
17. 10.1016/0167-2738(82)90060-110.1016/0167-2738(82)90060-1 ↗
18. 10.1016/0167-2738(92)90442-R10.1016/0167-2738(92)90442-R ↗
19. 10.1149/1.183744310.1149/1.1837443 ↗
20. 10.1111/ijag.1203710.1111/ijag.12037 ↗
21. 10.1016/j.elecom.2009.07.02810.1016/j.elecom.2009.07.028 ↗
22. 10.1016/j.electacta.2018.07.22710.1016/j.electacta.2018.07.227 ↗
23. 10.1038/nmat306610.1038/nmat3066 ↗
24. 10.1038/nenergy.2016.3010.1038/nenergy.2016.30 ↗
25. 10.4191/kcers.2016.53.5.56810.4191/kcers.2016.53.5.568 ↗
26. 10.3389/fenrg.2016.0002210.3389/fenrg.2016.00022 ↗
27. 10.1016/j.ssi.2010.10.00110.1016/j.ssi.2010.10.001 ↗
28. 10.1016/j.ssi.2006.04.01710.1016/j.ssi.2006.04.017 ↗
29. 10.1016/0167-2738(84)90097-310.1016/0167-2738(84)90097-3 ↗
30. 10.1039/C6TA07713G10.1039/C6TA07713G ↗
31. 10.1038/nmat436910.1038/nmat4369 ↗
32. 10.1021/acs.jpclett.8b0198910.1021/acs.jpclett.8b01989 ↗
33. 10.1016/S0167-2738(88)80026-210.1016/S0167-2738(88)80026-2 ↗