Application of magnetic resonance techniques to the in situ characterization of Li-ion batteries: A review

S Krachkovskiy, ML Trudeau, K Zaghib - Materials, 2020 - mdpi.com
In situ magnetic resonance (MR) techniques, such as nuclear MR and MR imaging, have
recently gained significant attention in the battery community because of their ability to …

Superionic bulk conductivity in Li1. 3Al0. 3Ti1. 7 (PO4) 3 solid electrolyte

A Mertens, S Yu, N Schön, DC Gunduz, H Tempel… - Solid State Ionics, 2017 - Elsevier
Superionic lithium-ion conductors of NASICON structure are promising solid electrolytes for
all solid-state batteries. But still further improvement of the ionic conductivity is necessary to …

Tracking Ions the Direct Way: Long-Range Li+ Dynamics in the Thio-LISICON Family Li4MCh4 (M = Sn, Ge; Ch = S, Se) as Probed by 7Li NMR Relaxometry and 7 …

K Hogrefe, N Minafra, WG Zeier… - The Journal of Physical …, 2021 - ACS Publications
Solid electrolytes are key elements for next-generation energy storage systems. To design
powerful electrolytes with high ionic conductivity, we need to improve our understanding of …

Solid-state NMR studies of lithium ion dynamics across materials classes: Review update

CV Chandran, P Heitjans - Annual Reports on NMR Spectroscopy, 2022 - Elsevier
Lithium containing solids exhibit interesting ion conducting properties because of the
dynamic nature of Li+ ions. A variety of lithium solid-state NMR experiments constitute an …

The EFG Rosetta Stone: translating between DFT calculations and solid state NMR experiments

JV Reina, F Civaia, AF Harper, C Scheurer… - Faraday …, 2025 - pubs.rsc.org
We present a comprehensive study on the best practices for integrating first principles
simulations in experimental quadrupolar solid-state nuclear magnetic resonance (SS-NMR) …

Implications of Occupational Disorder on Ion Mobility in Li4Ti5O12 Battery Materials

HH Heenen, C Scheurer, K Reuter - Nano letters, 2017 - ACS Publications
Lithium–titanium-oxide (Li4Ti5O12, LTO) is unique among battery materials due to its
exceptional cyclability and high rate capability. This performance is believed to derive at …

Tracking Li atoms in real-time with ultra-fast NMR simulations

AF Harper, T Huss, SS Köcher, C Scheurer - Faraday Discussions, 2025 - pubs.rsc.org
We present for the first time a multiscale machine learning approach to jointly simulate
atomic structure and dynamics with the corresponding solid state Nuclear Magnetic …

Two-dimensional impedance data analysis by the distribution of relaxation times

A Mertens, J Granwehr - Journal of Energy Storage, 2017 - Elsevier
Electrochemical impedance spectroscopy of batteries and fuel cells suffers from ambiguity
due to overlapping features of different electrochemical processes. One approach to mitigate …

Chemical shift reference scale for Li solid state NMR derived by first-principles DFT calculations

SS Köcher, PPM Schleker, MF Graf, RA Eichel… - Journal of magnetic …, 2018 - Elsevier
For studying electrode and electrolyte materials for lithium ion batteries, solid-state (SS)
nuclear magnetic resonance (NMR) of lithium moves into focus of current research …

Electrolyte contact changes nano-Li4Ti5O12 bulk properties via surface polarons

PPM Schleker, C Grosu, M Paulus, P Jakes… - Communications …, 2023 - nature.com
It is of general interest to combine the faradaic processes based high energy density of a
battery with the non-faradaic processes based high power density of a capacitor in one cell …