Li+-Ion Dynamics in β-Li3PS4 Observed by NMR: Local Hopping and Long-Range Transport
Heike Stöffler
1
,
Tatiana Zinkevich
1, 2
,
Murat Yavuz
1
,
A. Senyshyn
3
,
Jörn Kulisch
4
,
Pascal Hartmann
4
,
Torben Adermann
4
,
Simon Randau
5
,
Felix H. Richter
5
,
Jürgen Janek
5, 6
,
Sylvio Indris
1, 2
,
H. Ehrenberg
1, 2
3
Research Neutron Reactor ZWE FRM-II, Munich University of Technology, Lichtenbergstraße 1, 85747 Garching n. Munich, Germany
|
4
BASF SE, 67056 Ludwigshafen am Rhein, Germany
|
Publication type: Journal Article
Publication date: 2018-06-26
scimago Q1
wos Q3
SJR: 0.914
CiteScore: 6.2
Impact factor: 3.2
ISSN: 19327447, 19327455
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Physical and Theoretical Chemistry
General Energy
Abstract
A detailed structural characterization is performed on β-Li3PS4 using 6Li and 31P magic-angle spinning NMR spectroscopy in combination with X-ray and neutron diffraction. High-temperature synchrotron X-ray diffraction was used to determine the phase stability and observe phase transitions. In addition, we investigated the Li+-ion dynamics by temperature-dependent 7Li NMR lineshape analysis, 7Li NMR relaxometry, and 7Li pulsed field-gradient (PFG) NMR measurements. A good agreement is obtained between the local hopping observed by T1 relaxation time measurements and the long-range transport investigated by PFG NMR with a Li+ diffusion coefficient of 9 × 10–14 m2/s at 298 K and an activation energy of 0.24 eV. From this, a Li+ conductivity of 1.0 × 10–4 S/cm is estimated, which corresponds well with impedance measurements on β-Li3PS4 pellets.
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Stöffler H. et al. Li+-Ion Dynamics in β-Li3PS4 Observed by NMR: Local Hopping and Long-Range Transport // Journal of Physical Chemistry C. 2018. Vol. 122. No. 28. pp. 15954-15965.
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Stöffler H., Zinkevich T., Yavuz M., Senyshyn A., Kulisch J., Hartmann P., Adermann T., Randau S., Richter F. H., Janek J., Indris S., Ehrenberg H. Li+-Ion Dynamics in β-Li3PS4 Observed by NMR: Local Hopping and Long-Range Transport // Journal of Physical Chemistry C. 2018. Vol. 122. No. 28. pp. 15954-15965.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1021/acs.jpcc.8b05431
UR - https://doi.org/10.1021/acs.jpcc.8b05431
TI - Li+-Ion Dynamics in β-Li3PS4 Observed by NMR: Local Hopping and Long-Range Transport
T2 - Journal of Physical Chemistry C
AU - Stöffler, Heike
AU - Zinkevich, Tatiana
AU - Yavuz, Murat
AU - Senyshyn, A.
AU - Kulisch, Jörn
AU - Hartmann, Pascal
AU - Adermann, Torben
AU - Randau, Simon
AU - Richter, Felix H.
AU - Janek, Jürgen
AU - Indris, Sylvio
AU - Ehrenberg, H.
PY - 2018
DA - 2018/06/26
PB - American Chemical Society (ACS)
SP - 15954-15965
IS - 28
VL - 122
SN - 1932-7447
SN - 1932-7455
ER -
Cite this
BibTex (up to 50 authors)
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@article{2018_Stöffler,
author = {Heike Stöffler and Tatiana Zinkevich and Murat Yavuz and A. Senyshyn and Jörn Kulisch and Pascal Hartmann and Torben Adermann and Simon Randau and Felix H. Richter and Jürgen Janek and Sylvio Indris and H. Ehrenberg},
title = {Li+-Ion Dynamics in β-Li3PS4 Observed by NMR: Local Hopping and Long-Range Transport},
journal = {Journal of Physical Chemistry C},
year = {2018},
volume = {122},
publisher = {American Chemical Society (ACS)},
month = {jun},
url = {https://doi.org/10.1021/acs.jpcc.8b05431},
number = {28},
pages = {15954--15965},
doi = {10.1021/acs.jpcc.8b05431}
}
Cite this
MLA
Copy
Stöffler, Heike, et al. “Li+-Ion Dynamics in β-Li3PS4 Observed by NMR: Local Hopping and Long-Range Transport.” Journal of Physical Chemistry C, vol. 122, no. 28, Jun. 2018, pp. 15954-15965. https://doi.org/10.1021/acs.jpcc.8b05431.
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