(111)-Oriented crystalline plane MnO loaded by biomass carbon separator to facilitate sulfur redox kinetics in lithium-sulfur batteries

Lithium-sulfur batteries have gained widespread attention due to their high theoretical energy density. However, the insulating properties of the charge-discharge products and slow kinetic transformation result in poor rate performance of these batteries. To address this issue, study utilized Density-functional theory calculations to predict the formation of MnO on biochar derived from Phragmites australis. Additionally, the study investigated the adsorption energy and catalytic ability of MnO with different crystal planes for lithium polysulfide. Notably, the MnO (111) crystal plane exhibited the highest chemical adsorption energy. The study also analyzed the anchoring and catalytic method of lithium polysulfides. Furthermore, advanced analytical methods were employed to examine the structure and morphology of biomass carbon loaded with MnO, and a separator made from MnO-loaded biomass carbon was developed for use in Li-S bat-teries. The findings indicate that the separator substantially enhances the kinetic reaction, resulting in exceptional rate performance.(c) 2023 The Author(s). Published by Elsevier B.V. on behalf of King Saud University. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).

Automated summary

The study used Density-functional theory calculations to predict the formation of MnO on biochar derived from Phragmites australis and investigated its adsorption energy and catalytic ability for lithium polysulfide. Advanced analytical methods were employed to examine the structure and morphology of biomass carbon loaded with MnO, and a separator made from MnO-loaded biomass carbon was developed for Li-S batteries, which substantially enhanced the kinetic reaction and resulted in exceptional rate performance.