Editors: | F. Kongoli, M.A. Alario Franco, J. Etourneau, S. Kalogirou, F.D.S. Marquis, R. Martins, K. Poeppelmeier, B. Raveau, Y. Shimakawa, M. Takano |
Publisher: | Flogen Star OUTREACH |
Publication Year: | 2019 |
Pages: | 130 pages |
ISBN: | 978-1-989820-08-7 |
ISSN: | 2291-1227 (Metals and Materials Processing in a Clean Environment Series) |
Li-ion batteries have dominated the energy storage device market and are widely used in portable electronic devices as well as hybrid and electric vehicles (HEV, EV). Unfortunately, the world’s limited resources of lithium and its growing prices have made it necessary to conduct intensive research aimed at improving the materials used in lithium batteries and obtaining cells with better parameters, i.e. higher energy and power densities.
In the previous work, we presented the results of electronic structure calculations performed for LixNi0.9−yCoyMn0.1O2 [1]. In this work, we expand on our previous analysis by considering the additional influence of copper atoms on electronic structure – especially with regard to the modification of density of states in the vicinity of the Fermi energy (EF). This paper discusses both practical and theoretical aspects of operation of Li-ion cells, presents the results of structural, transport and electrochemical properties of Cu-substituted cathode materials from a group of LiNi0.9-y-zCoyMn0.1CuzO2 mixed oxides, supported by electronic structure calculations performed using KKR-CPA method (Korringa-Kohn-Rostoker method with the coherent potential approximation (CPA) to account for chemical disorder [2, 3]). The presented data show that copper has a beneficial effect on electronic transport properties, lithium diffusion and cathodes performance. Battery on the base on the developed LiNi0.88-yCoyMn0.1Cu0.02O2 cathode materials is characterized by high voltage, high capacity and high rate capability, which guarantees high energy and power densities.
The correlation between the results of electronic structure calculations, the transport properties and electrochemical behaviour of LixNi0.58Co0.3Mn0.1Cu0.02O2-δ cathode is shown.
The project was funded by the National Science Centre Poland (NCN) under the “OPUS 12” programme on the basis of the decision number UMO- 2016/23/B/ST8/00199 and AGH University research grant no. 16.16.210.476. This work was carried out using infrastructure of the Laboratory of Materials for Renewable Energy Conversion and Storage, Centre of Energy AGH.