Detection of trapped molecular O2 in a charged Li-rich cathode by Neutron PDF

<p>Oxidation and reduction of the oxide ions in the bulk of cathode materials is a potential route towards increasing the energy density of Li-ion batteries. Here, we present neutron PDF data which demonstrates the presence of short 1.2 &Aring; O-O distances in a charged O-redox cathode ma...

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Bibliographic Details
Main Authors: House, R, Playford, HY, Smith, R, Holter, J, Griffiths, I, Zhou, K-J, Bruce, PG
Format: Journal article
Language:English
Published: Royal Society of Chemistry 2021
Description
Summary:<p>Oxidation and reduction of the oxide ions in the bulk of cathode materials is a potential route towards increasing the energy density of Li-ion batteries. Here, we present neutron PDF data which demonstrates the presence of short 1.2 &Aring; O-O distances in a charged O-redox cathode material, corresponding to the bond length of molecular O<small><sub>2</sub></small>. This was achieved by collecting our data close to absolute zero (2K), suppressing thermal motion which may have obscured detection by PDF previously. This direct detection of molecular O<small><sub>2</sub></small>&nbsp;trapped in the material by diffraction complements the X-ray spectroscopy studies by e.g. RIXS while avoiding issues of possible beam damage as well as being a bulk average technique.</p>