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Title: Occupied Electronic States of Li in Li, Li2O2, and Li2O Analyzed by Soft X-ray Emission Spectroscopy
Authors: Mukai, Keisuke  kyouindb  KAKEN_id  orcid (unconfirmed)
Kasada, Ryuta
Sasaki, Kazuya
Konishi, Satoshi
Author's alias: 向井, 啓祐
小西, 哲之
Issue Date: 30-Apr-2020
Publisher: American Chemical Society (ACS)
Journal title: The Journal of Physical Chemistry C
Volume: 124
Issue: 17
Start page: 9256
End page: 9260
Abstract: Lithium metal and lithium oxides are components of lithium–oxygen (Li–O2) batteries. To accurately identify Li compounds and understand the degradation mechanism, fundamental knowledge of the electron structures of constituent elements is vital. However, experimentally derived occupied states of Li have been missing due to the intrinsic difficulties in their detection. Herein, using soft X-ray emission spectroscopy, ultrahigh-energy-resolution spectra of Li–K were collected for three critical Li compounds: Li, Li2O2, and Li2O. Large chemical shifts to lower energies and peak broadening were observed in compound-specific Li–K and O–K spectra. Theoretical calculations confirm that these changes derive from the characteristic electronic configurations of 1s and 2p states with core-level shifts in Li+. The large chemical shift (∼4.6 eV) between the Li and Li2O peaks was utilized to visualize the chemical state mapping of the Li metal/oxide phase, facilitating the identification of chemical phases in Li compounds.
Rights: This document is the Accepted Manuscript version of a Published Work that appeared in final form in The Journal of Physical Chemistry C, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see
The full-text file will be made open to the public on 2 April 2021 in accordance with publisher's 'Terms and Conditions for Self-Archiving'.
This is not the published version. Please cite only the published version. この論文は出版社版でありません。引用の際には出版社版をご確認ご利用ください。
DOI(Published Version): 10.1021/acs.jpcc.0c02885
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