Lei, Timan;
Yang, Junyu;
Wang, Geng;
Chen, Jin;
He, Yinglong;
Luo, Kai H;
(2024)
Insight into discharge of non-aqueous Li–O2 battery using a
three-dimensional electrochemical lattice Boltzmann model.
Chemical Engineering Journal
, Article 157462. 10.1016/j.cej.2024.157462.
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Abstract
Non-aqueous Li–O2 battery (NALiO2B) is a promising alternative to lithium-ion batteries, offering high theoretical energy density. However, its practical applications are hampered by limited understanding of the underlying mechanisms. In this study, a three-dimensional electrochemical lattice Boltzmann method is proposed to simulate the physical and electrochemical processes during NALiO2B discharge at the pore scale. The discharge performance of NALiO2B is evaluated for various electrode and electrolyte designs. It is found that the limited O2 diffusion within homogeneous electrodes is the primary cause of the declined reactive electrode surface area, the intensified electrochemical reaction (or overpotential), and finally the premature battery death. This issue can be mitigated by employing the hierarchical electrode BP2 with a bi-porous structure. The large pores in BP2 improve O2 transport to sustain the continuous electrochemical reaction process, thus enhancing the discharge capacity of NALiO2B. To further boost the rate capability of NALiO2B, BP2 is partially infiltrated with electrolyte to form the multiphase (MP) electrode, where air bubbles exist and serve as O2 reservoirs. These bubbles effectively provide adequate O2 to support the extensive O2 consumption during the fast electrochemical reaction at high current densities. Consequently, NALiO2B with MP demonstrates the satisfactory discharge capacity and rate capability. This study provides valuable insights into the complex physics and reaction kinetics behind NALiO2B discharge, which facilitates the optimization and development of NALiO2B.
| Type: | Article |
|---|---|
| Title: | Insight into discharge of non-aqueous Li–O2 battery using a three-dimensional electrochemical lattice Boltzmann model |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1016/j.cej.2024.157462 |
| Publisher version: | https://doi.org/10.1016/j.cej.2024.157462 |
| Language: | English |
| Additional information: | © 2024 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/) |
| Keywords: | Non-aqueous Li–O2 battery Lattice Boltzmann method Electrochemical reaction, Electrode and electrolyte designs, O2, transport, Pore-scale modeling |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Mechanical Engineering |
| URI: | https://discovery-pp.ucl.ac.uk/id/eprint/10200514 |
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