تقرير
Spectroscopic Signature of Oxidized Oxygen States in Peroxides
| العنوان: | Spectroscopic Signature of Oxidized Oxygen States in Peroxides |
|---|---|
| المؤلفون: | Zhuo, Zengqing, Pemmaraju, Chaitanya Das, Vinson, John, Jia, Chunjing, Moritz, Brian, Lee, Ilkyu, Sallies, Shawn, Li, Qinghao, Wu, Jinpeng, Dai, Kehua, Chuang, Yi-de, Hussain, Zahid, Pan, Feng, Devereaux, Thomas P., Yang, Wanli |
| المصدر: | The Journal of Physical Chemistry Letters 9, 6378-6384 (2018) |
| سنة النشر: | 2018 |
| المجموعة: | Condensed Matter Physics (Other) |
| مصطلحات موضوعية: | Physics - Chemical Physics, Condensed Matter - Materials Science, Physics - Applied Physics |
| الوصف: | Recent debates on the oxygen redox behaviors in battery electrodes have triggered a pressing demand for the reliable detection and understanding of non-divalent 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 intra-band 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. Comment: 25 pages, 4 figures, plus 11 pages of Supplementary Information with 4 figures |
| نوع الوثيقة: | Working Paper |
| DOI: | 10.1021/acs.jpclett.8b02757 |
| URL الوصول: | http://arxiv.org/abs/1809.08292 |
| رقم الأكسشن: | edsarx.1809.08292 |
| قاعدة البيانات: | arXiv |
| DOI: | 10.1021/acs.jpclett.8b02757 |
|---|