Investigation of the Li-ion conduction behavior in the Li10GeP2S12 solid electrolyte by two-dimensional T1-spin alignment echo correlation NMR.

Paulus, MC; Graf, MF; Harks, PPRML; Paulus, A; Schleker, PPM; Notten, PHL; Eichel, R-A; Granwehr, J

Investigation of the Li-ion conduction behavior in the Li10GeP2S12 solid electrolyte by two-dimensional T1-spin alignment echo correlation NMR.

Paulus, MC Graf, MF Harks, PPRML Paulus, A Schleker, PPM Notten, PHL Eichel, R-A Granwehr, J

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Publisher:: ACADEMIC PRESS INC ELSEVIER SCIENCE
Publication Type:: Journal Article
Citation:: J Magn Reson, 2018, 294, pp. 133-142
Issue Date:: 2018-09

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Field	Value	Language
dc.contributor.author	Paulus, MC
dc.contributor.author	Graf, MF
dc.contributor.author	Harks, PPRML
dc.contributor.author	Paulus, A
dc.contributor.author	Schleker, PPM
dc.contributor.author	Notten, PHL
dc.contributor.author	Eichel, R-A
dc.contributor.author	Granwehr, J
dc.date.accessioned	2022-09-11T01:51:17Z
dc.date.available	2018-07-13
dc.date.available	2022-09-11T01:51:17Z
dc.date.issued	2018-09
dc.identifier.citation	J Magn Reson, 2018, 294, pp. 133-142
dc.identifier.issn	1090-7807
dc.identifier.issn	1096-0856
dc.identifier.uri	http://hdl.handle.net/10453/161648
dc.description.abstract	Li10GeP2S12 (LGPS) is the fastest known Li-ion conductor to date due to the formation of one-dimensional channels with a very high Li mobility. A knowledge-based optimization of such materials for use, for example, as solid electrolyte in all-solid-state batteries requires, however, a more comprehensive understanding of Li ion conduction that considers mobility in all three dimensions, mobility between crystallites and different phases, as well as their distributions within the material. The spin alignment echo (SAE) nuclear magnetic resonance (NMR) technique is suitable to directly probe slow Li ion hops with correlation times down to about 10-5 s, but distinction between hopping time constants and relaxation processes may be ambiguous. This contribution presents the correlation of the 7Li spin lattice relaxation (SLR) time constants (T1) with the SAE decay time constant τc to distinguish between hopping time constants and signal decay limited by relaxation in the τc distribution. A pulse sequence was employed with two independently varied mixing times. The obtained multidimensional time domain data was processed with an algorithm for discrete Laplace inversion that does not use a non-negativity constraint to deliver 2D SLR-SAE correlation maps. Using the full echo transient, it was also possible to estimate the NMR spectrum of the Li ions responsible for each point in the correlation map. The signal components were assigned to different environments in the LGPS structure.
dc.format	Print-Electronic
dc.language	eng
dc.publisher	ACADEMIC PRESS INC ELSEVIER SCIENCE
dc.relation.ispartof	J Magn Reson
dc.relation.isbasedon	10.1016/j.jmr.2018.07.008
dc.rights	info:eu-repo/semantics/closedAccess
dc.subject	02 Physical Sciences, 09 Engineering
dc.subject.classification	Biophysics
dc.title	Investigation of the Li-ion conduction behavior in the Li10GeP2S12 solid electrolyte by two-dimensional T1-spin alignment echo correlation NMR.
dc.type	Journal Article
utslib.citation.volume	294
utslib.location.activity	United States
utslib.for	02 Physical Sciences
utslib.for	09 Engineering
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
pubs.organisational-group	/University of Technology Sydney/Faculty of Science/School of Mathematical and Physical Sciences
utslib.copyright.status	closed_access	*
dc.date.updated	2022-09-11T01:51:15Z
pubs.publication-status	Published
pubs.volume	294

Abstract:

Li10GeP2S12 (LGPS) is the fastest known Li-ion conductor to date due to the formation of one-dimensional channels with a very high Li mobility. A knowledge-based optimization of such materials for use, for example, as solid electrolyte in all-solid-state batteries requires, however, a more comprehensive understanding of Li ion conduction that considers mobility in all three dimensions, mobility between crystallites and different phases, as well as their distributions within the material. The spin alignment echo (SAE) nuclear magnetic resonance (NMR) technique is suitable to directly probe slow Li ion hops with correlation times down to about 10-5 s, but distinction between hopping time constants and relaxation processes may be ambiguous. This contribution presents the correlation of the 7Li spin lattice relaxation (SLR) time constants (T1) with the SAE decay time constant τc to distinguish between hopping time constants and signal decay limited by relaxation in the τc distribution. A pulse sequence was employed with two independently varied mixing times. The obtained multidimensional time domain data was processed with an algorithm for discrete Laplace inversion that does not use a non-negativity constraint to deliver 2D SLR-SAE correlation maps. Using the full echo transient, it was also possible to estimate the NMR spectrum of the Li ions responsible for each point in the correlation map. The signal components were assigned to different environments in the LGPS structure.

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http://hdl.handle.net/10453/161648