Origin of additional capacities in metal oxide lithium-ion battery electrodes

Yan-Yan Hu, Zigeng Liu, Kyung-Wan Nam, Olaf J Borkiewicz, Jun Cheng, Xiao Hua, Matthew T Dunstan, Xiqian Yu, Kamila M Wiaderek, Lin-Shu Du, Karena W. Chapman, Peter J. Chupas, Xiao-Qing Yang, Claire P. Grey

Research output: Contribution to journalArticlepeer-review

611 Citations (Scopus)


Metal fluorides/oxides (MFx/MxOy) are promising electrodes for lithium-ion batteries that operate through conversion reactions. These reactions are associated with much higher energy densities than intercalation reactions. The fluorides/oxides also exhibit additional reversible capacity beyond their theoretical capacity through mechanisms that are still poorly understood, in part owing to the difficulty in characterizing structure at the nanoscale, particularly at buried interfaces. This study employs high-resolution multinuclear/multidimensional solid-state NMR techniques, with in situ synchrotron-based techniques, to study the prototype conversion material RuO2. The experiments, together with theoretical calculations, show that a major contribution to the extra capacity in this system is due to the generation of LiOH and its subsequent reversible reaction with Li to form Li2O and LiH. The research demonstrates a protocol for studying the structure and spatial proximities of nanostructures formed in this system, including the amorphous solid electrolyte interphase that grows on battery electrodes.
Original languageEnglish
Pages (from-to)1130-1136
Number of pages7
JournalNature materials
Issue number12
Early online date3 Nov 2013
Publication statusPublished - Dec 2013


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