2014-Sustainable Industrial Processing Summit
SIPS 2014 Volume 4: Recycling & Secondary Battery
| Editors: | Kongoli F |
| Publisher: | Flogen Star OUTREACH |
| Publication Year: | 2014 |
| Pages: | 498 pages |
| ISBN: | 978-1-987820-06-5 |
| ISSN: | 2291-1227 (Metals and Materials Processing in a Clean Environment Series) |
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Transition Metal-Oxides in Li-O2 Batteries: First Principles Modeling in Conjunction with Synchrotron Characterization
Maria Chan1;1ARGONNE NATIONAL LABORATORY, Argonne, United States;
Type of Paper: Invited
Id Paper: 323
Topic: 12
Abstract:
Li-O2 ("Li-air") batteries have been intensely studied as a future technology for energy storage due to high theoretical capacities, up to ten times that of existing Li-ion battery materials. There are significant technological challenges before Li-O2 batteries can be practical, such as the large overpotential and slow kinetics. In order to reduce the overpotential and hence improve the energy efficiency, and improve the reaction kinetics, transition metal oxides (MOx) such as Mn and Fe oxides have been used as electrocatalysts. In addition, we have recently proposed using lithium transition metal oxides (nLi2O.MOx) as hybrid all-in-one materials that can perform as both electrodes in Li-ion and electrocatalysts in Li-O2 batteries. A fundamental understanding of these MOx and nLi2O.MOx materials require collaborative efforts between electrochemical experiments, in situ and ex situ characterization, and computational modeling. In this talk, I will discuss the use of first principles density functional theory modeling in conjunction with synchrotron characterization to understand the reaction mechanisms of these materials and the possible impact of different materials on battery performance.