Journal
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 9, Issue 21, Pages 6378-6384Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.8b02757
Keywords
-
Categories
Funding
- Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]
- Guangdong Innovation Team Project [2013N080]
- Shenzhen Science and Technology Research Grant (Peacock Plan) [KYPT20141016105435850]
- US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-76SF00515]
- U.S. Department of Energy Office of Science User Facility [DE-AC02-05CH11231]
- Stanford University
- Stanford Research Computing Center
Ask authors/readers for more resources
Recent debates on the oxygen redox behaviors in battery electrodes have triggered a pressing demand for the reliable detection and understanding of nondivalent oxygen states beyond conventional absorption spectroscopy. Here, enabled by high-efficiency mapping of resonant inelastic X-ray scattering (mRIXS) coupled with first-principles calculations, we report distinct mRIXS features of the oxygen states in Li2O, Li2CO3, and especially, Li2O2, which are successfully reproduced and interpreted theoretically. mRIXS signals are dominated by valence-band decays in Li2O and Li2CO3. However, the oxidized oxygen in Li2O2 leads to partially unoccupied O-2p states that yield a specific intraband excitonic feature in mRIXS. Such a feature displays a specific emission energy in mRIXS, which disentangles the oxidized oxygen states from the dominating transition-metal/oxygen hybridization features in absorption spectroscopy, thus providing critical hints for both detecting and understanding the oxygen redox reactions in transition-metal oxide based battery materials.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available