2025 - Sustainable Industrial Processing Summit
SIPS2025 Volume 13. Intl. Symp on Solid State Chemistry, Physical Chemistry, Corrosion and Coating
| Editors: | F. Kongoli, I. Chung, H. Kageyama, M.G. Kanatzidis, F. Marquis, A. Navrotsky, A. Tressaud, J. Atwood, G. Duca, R. Kuroda, A. Legocki, J. Lipkowski, M. Zaworotko, R. Singh, R. Gupta, M. Halama, D. Macdonald, F. Wang |
| Publisher: | Flogen Star OUTREACH |
| Publication Year: | 2025 |
| Pages: | 262 pages |
| ISBN: | 978-1-998384-62-4 (CD) |
| ISSN: | 2291-1227 (Metals and Materials Processing in a Clean Environment Series) |
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ELECTRONIC STRUCTURE ENGINEERING IN THE DEVELOPMENT OF HIGH VOLTAGE CATHODE MATERIALS FOR Na-ION BATTERIES
Janina Molenda1;1AGH UNIVERSITY OF KRAKOW, Kraków, Poland;
Type of Paper: Regular
Id Paper: 113
Topic: 52
Abstract:
Transition metal compounds with a general formula AxMaXb (A=Li, Na, M= transition metal, X= O, S, SO42-, PO43-) constitute a group of potential electrode materials for a new generation of alkaline batteries. This application is related to the fact that these compounds can reversibly intercalate high amounts of alkaline ions (1 or more moles per mole of MaXb) already at room temperature, without significant changes in their crystallographic structure. Nowadays, further development of rechargeable batteries is focused on the discovery of new, high-performance and low-cost electrode materials. Recently, Na-ion batteries have attracted much attention due to their many advantages, such as: high abundance of sodium in the Earth’s crust, its low cost and suitable redox potential (only 0.3 V above that of lithium).
The author of this work basing on her own investigations of numerous group of cathode materials has demonstrated that the electronic structure of the electrode materials plays an important role in the electrochemical intercalation process [1,2]. The paper reveals correlation between crystal and electronic structure, chemical disorder, transport and electrochemical properties of layered NaxNi1/5Co1/5Fe1/5Mn1/5Ti1/5O2 high entropy oxides, polyanions Na2Fe2(SO4)3 and Prussian Blue Analogues cathode materials. The complex studies, including experimental as well as theoretical parts (electronic structure calculations performed using the Korringa-Kohn-Rostoker method with the coherent potential approximation KKR-CPA to account for chemical disorder), showed a strong correlation between structural, transport and electrochemical properties of these materials.
The detailed analysis presented in this work provides a strong proof that the high-entropy NaxMn0.2Fe0.2Co0.2Ni0.2Ti0.2O2 oxide with reduced content of cobalt and nickel, Na2Fe2(SO4)3 and Prussian Blue Analogues might be applicable in sodium batteries technology, especially in terms of large-scale energy storage units.