Rational design of redox mediators for advanced Li–O2 batteries

Hee-Dae Lim, Byungju Lee, Yongping Zheng, Jihyun Hong, Jinsoo Kim, Hyeokjo Gwon, Youngmin Ko, Minah Lee, Kyeongjae Cho () and Kisuk Kang ()
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Hee-Dae Lim: Seoul National University
Byungju Lee: Seoul National University
Yongping Zheng: Seoul National University
Jihyun Hong: Seoul National University
Jinsoo Kim: Seoul National University
Hyeokjo Gwon: Energy Lab, Material Research Center, Samsung Advanced Institute of Technology, Samsung Electronics Co. Ltd.
Youngmin Ko: Seoul National University
Minah Lee: Stanford University
Kyeongjae Cho: Seoul National University
Kisuk Kang: Seoul National University

Nature Energy, 2016, vol. 1, issue 6, 1-9

Abstract: Abstract The discovery of effective catalysts is an important step towards achieving Li–O2 batteries with long cycle life and high round-trip efficiency. Soluble-type catalysts or redox mediators (RMs) possess great advantages over conventional solid catalysts, generally exhibiting much higher efficiency. Here, we select a series of organic RM candidates as a model system to identify the key descriptor in determining the catalytic activities and stabilities in Li–O2 cells. It is revealed that the level of ionization energies, readily available parameters from a database of the molecules, can serve such a role when comparing with the formation energy of Li2O2 and the highest occupied molecular orbital energy of the electrolyte. It is demonstrated that they are critical in reducing the overpotential and improving the stability of Li–O2 cells, respectively. Accordingly, we propose a general principle for designing feasible catalysts and report a RM, dimethylphenazine, with a remarkably low overpotential and high stability.

Date: 2016
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DOI: 10.1038/nenergy.2016.66

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