4.5 Review

In situ and ex situ NMR for battery research

Journal

JOURNAL OF PHYSICS-CONDENSED MATTER
Volume 30, Issue 46, Pages -

Publisher

IOP PUBLISHING LTD
DOI: 10.1088/1361-648X/aae5b8

Keywords

energy storage; batteries; multi-nuclear NMR; Li-7; Cs-133; O-17; Mg-25; Magic angle spinning NMR; solvation structures; computational modeling

Funding

  1. Joint Center for Energy Storage Research (JCESR FWP), an Energy Innovation Hub - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (BES) [63076]
  2. U.S. Department of Energy [DE-AC05-76RL01830]

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A rechargeable battery stores readily convertible chemical energy to operate a variety of devices such as mobile phones, laptop computers, electric automobiles, etc. A battery generally consists of four components: a cathode, an anode, a separator and electrolytes. The properties of these components jointly determine the safety, the lifetime, and the electrochemical performance. They also include, but are not limited to, the power density and the charge as well as the recharge time/rate associated with a battery system. An extensive amount of research is dedicated to understanding the physical and chemical properties associated with each of the four components aimed at developing new generations of battery systems with greatly enhanced safety and electrochemical performance at a significantly reduced cost for large scale applications. Advanced characterization tools are a prerequisite to fundamentally understanding battery materials. Considering that some of the key electrochemical processes can only exist under in situ conditions, which can only be captured under working battery conditions when electric wires are attached and current and voltage are applied, make in situ detection critical. Nuclear magnetic resonance (NMR), a non-invasive and atomic specific tool, is capable of detecting all phases, including crystalline, amorphous, liquid and gaseous phases simultaneously and is ideal for in situ detection on a working battery system. Ex situ NMR on the other hand can provide more detailed molecular or structural information on stable species with better spectral resolution and sensitivity. The combination of in situ and ex situ NMR, thus, offers a powerful tool for investigating the detailed electrochemistry in batteries.

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