Journal article

Publication year: 2018

Pages: 15954-15965

Journal: Journal of Physical Chemistry C

Volume number: 122

Issue number: 28

ISSN: 1932-7447

DOI Link: https://doi.org/10.1021/acs.jpcc.8b05431

Publisher: American Chemical Society

Abstract: 
A detailed structural characterization is performed on beta-Li3PS4 using Li-6 and P-31 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 L+-ion dynamics by temperature-dependent Li-7 NMR lineshape analysis, Li-7 NMR relaxometry, and Li-7 pulsed field-gradient (PFG) NMR measurements. A good agreement is obtained between the local hopping observed by T-1 relaxation time measurements and the long-range transport investigated by PFG NMR with a Li+ diffusion coefficient of 9 X 10(-14) m(2)/s at 298 K and an activation energy of 0.24 eV. From this, a Li+ conductivity of 1.0 X 10(-4) S/cm is estimated, which corresponds well with impedance measurements on beta-Li3PS4 pellets.

Harvard Citation style: Stöffler, H., Zinkevich, T., Yavuz, M., Senyshyn, A., Kulisch, J., Hartmann, P., et al. (2018) Li+-Ion Dynamics in beta-Li3PS4 Observed by NMR: Local Hopping and Long-Range Transport, Journal of Physical Chemistry C, 122(28), pp. 15954-15965. https://doi.org/10.1021/acs.jpcc.8b05431

APA Citation style: Stöffler, H., Zinkevich, T., Yavuz, M., Senyshyn, A., Kulisch, J., Hartmann, P., Adermann, T., Randau, S., Richter, F., Janek, J., Indris, S., Ehrenberg, & H (2018). Li+-Ion Dynamics in beta-Li3PS4 Observed by NMR: Local Hopping and Long-Range Transport. Journal of Physical Chemistry C. 122(28), 15954-15965. https://doi.org/10.1021/acs.jpcc.8b05431