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| Home > Publications database > On the Discrepancy between Local and Average Structure in the Fast $Na^+$ Ionic Conductor $Na_{2.9}Sb_{0.9}W_{0.1}S_{4}$ > print |
| 001 | 1007410 | ||
| 005 | 20240712113127.0 | ||
| 024 | 7 | _ | |a 10.1021/jacs.2c11803 |2 doi |
| 024 | 7 | _ | |a 0002-7863 |2 ISSN |
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| 100 | 1 | _ | |a Maus, Oliver |0 P:(DE-HGF)0 |b 0 |
| 245 | _ | _ | |a On the Discrepancy between Local and Average Structure in the Fast $Na^+$ Ionic Conductor $Na_{2.9}Sb_{0.9}W_{0.1}S_{4}$ |
| 260 | _ | _ | |a Washington, DC |c 2023 |b ACS Publications |
| 336 | 7 | _ | |a article |2 DRIVER |
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| 520 | _ | _ | |a Aliovalent substitution is a common strategy to improve the ionic conductivity of solid electrolytes for solid-state batteries. The substitution of SbS43– by WS42– in Na2.9Sb0.9W0.1S4 leads to a very high ionic conductivity of 41 mS cm–1 at room temperature. While pristine Na3SbS4 crystallizes in a tetragonal structure, the substituted Na2.9Sb0.9W0.1S4 crystallizes in a cubic phase at room temperature based on its X-ray diffractogram. Here, we show by performing pair distribution function analyses and static single-pulse 121Sb NMR experiments that the short-range order of Na2.9Sb0.9W0.1S4 remains tetragonal despite the change in the Bragg diffraction pattern. Temperature-dependent Raman spectroscopy revealed that changed lattice dynamics due to the increased disorder in the Na+ substructure leads to dynamic sampling causing the discrepancy in local and average structure. While showing no differences in the local structure, compared to pristine Na3SbS4, quasi-elastic neutron scattering and solid-state 23Na nuclear magnetic resonance measurements revealed drastically improved Na+ diffusivity and decreased activation energies for Na2.9Sb0.9W0.1S4. The obtained diffusion coefficients are in very good agreement with theoretical values and long-range transport measured by impedance spectroscopy. This work demonstrates the importance of studying the local structure of ionic conductors to fully understand their transport mechanisms, a prerequisite for the development of faster ionic conductors. |
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| 588 | _ | _ | |a Dataset connected to CrossRef, Journals: juser.fz-juelich.de |
| 700 | 1 | _ | |a Agne, Matthias T. |0 P:(DE-HGF)0 |b 1 |
| 700 | 1 | _ | |a Fuchs, Till |0 P:(DE-HGF)0 |b 2 |
| 700 | 1 | _ | |a Till, Paul S. |0 P:(DE-HGF)0 |b 3 |
| 700 | 1 | _ | |a Wankmiller, Björn |0 P:(DE-HGF)0 |b 4 |
| 700 | 1 | _ | |a Gerdes, Josef Maximilian |0 P:(DE-HGF)0 |b 5 |
| 700 | 1 | _ | |a Sharma, Rituraj |0 P:(DE-HGF)0 |b 6 |
| 700 | 1 | _ | |a Heere, Michael |0 P:(DE-HGF)0 |b 7 |
| 700 | 1 | _ | |a Jalarvo, Niina |0 P:(DE-HGF)0 |b 8 |
| 700 | 1 | _ | |a Yaffe, Omer |0 0000-0003-4114-7968 |b 9 |
| 700 | 1 | _ | |a Hansen, Michael Ryan |0 0000-0001-7114-8051 |b 10 |
| 700 | 1 | _ | |a Zeier, Wolfgang G. |0 P:(DE-Juel1)184735 |b 11 |e Corresponding author |
| 773 | _ | _ | |a 10.1021/jacs.2c11803 |g Vol. 145, no. 13, p. 7147 - 7158 |0 PERI:(DE-600)1472210-0 |n 13 |p 7147 - 7158 |t Journal of the American Chemical Society |v 145 |y 2023 |x 0002-7863 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/1007410/files/jacs.2c11803.pdf |y Restricted |
| 856 | 4 | _ | |y Published on 2023-03-22. Available in OpenAccess from 2024-03-22. |z StatID:(DE-HGF)0510 |u https://juser.fz-juelich.de/record/1007410/files/Revised_Manuscript.pdf |
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