Citation

Aslfattahi, Navid and Kiai, Maryam Sadat and Karatas, Deniz and Baydogan, Nilgun and Samylingam, Lingenthiran and Kadirgama, Kumaran and Kok, Chee Kuang (2025) Interfacial synergy of pre-lithiation silicon anodes and GNP/MnO2/S cathodes for lithium polysulfides in silicon–sulfur batteries studied via DFT. Sustainable Energy & Fuels. ISSN 2398-4902

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Abstract

The development of innovative electrodes with outstanding high-rate cycling performance for the next generation of sulfur-based batteries has emerged as a key area of research. This study presents a straightforward approach for designing silicon/graphene nanoplates as an anode material using a one-step hydrothermal process. Additionally, to reduce the shuttle effect, the GNP/MnO2/S cathode is investigated. In this study, MnO2 particles are grown in situ on the surface of the GNP. The pre-lithiation Si/GNP anode and the MnO2/GNP/S and GNP/S cathodes are evaluated at a current density of 1000 mA g−1. The findings reveal an impressive capacity retention of 1048 mA h g−1 after 200 cycles, indicating remarkable cycling performance for the cell with the pre-lithiation Si/GNP anode and the MnO2/GNP/S cathode. The capacity retention observed in thicker electrodes highlights the synergistic effect of the effective chemical absorption of lithium polysulfides by MnO2/GNP/S when used as sulfur hosts. Additionally, DFT calculations suggest that MnO2 has a significant tendency to adhere to the surface of polysulfides, aligning well with our findings regarding cycle performance, rate performance, and discharge capacity. The novel electrode configuration introduced in this study provides a novel pathway for the large-scale production of high-performance pre-lithiation Si-S batteries. © 2025 The Royal Society of Chemistry.

Item Type:	Article
Uncontrolled Keywords:	Anodes, lithium batteries
Subjects:	T Technology > TP Chemical technology > TP155-156 Chemical engineering
Divisions:	Faculty of Engineering and Technology (FET)
Depositing User:	Ms Rosnani Abd Wahab
Date Deposited:	28 Mar 2025 04:32
Last Modified:	28 Mar 2025 04:32
URII:	http://shdl.mmu.edu.my/id/eprint/13650

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