Heterojunction structure of cobalt sulfide cathodes for high-performance magnesium-ion batteries

Heterojunction structure of cobalt sulfide cathodes for high-performance magnesium-ion batteries

Matter

10.1016/j.matt.2024.03.008

https://doi.org/10.1016/j.matt.2024.03.008

Jianbiao Wang, Tanmay Ghosh, Zhengyu Ju, Man-Fai Ng, Gang Wu, Gaoliang Yang, Xiaofei Zhang, Lei Zhang, Albertus D. Handoko, Sonal Kumar, Wutthikrai Busayaporn, Dechmongkhon Kaewsuwan, Changyun Jiang, Mingdeng Wei, Guihua Yu, Zhi Wei Seh

10 April 2024

Wang, J., Ghosh, T., Ju, Z., Ng, M.-F., Wu, G., Yang, G., Zhang, X., Zhang, L., Handoko, A. D., Kumar, S., Busayaporn, W., Kaewsuwan, D., Jiang, C., Wei, M., Yu, G., & Seh, Z. W. (2024). Heterojunction structure of cobalt sulfide cathodes for high-performance magnesium-ion batteries. Matter, 7(5), 1833–1847. https://doi.org/10.1016/j.matt.2024.03.008

Transition metal chalcogenides (TMCs) with 3d-orbitals have been intensively studied for use as cathodes in magnesium-ion batteries. However, their poor electronic conductivities, and sluggish electrochemical kinetics severely restrict their electrochemical performance to prevent wide applicability for these materials. Here we propose a heterointerface structure of cobalt sulfide (Co3S4/CoS2) hollow nanospheres to enable built-in electric fields generated in heterointerfaces, as also verified in density functional theory (DFT), finite element simulations (FES), and ab initio molecular dynamics (AIMD) results. Compared to other TMCs, our cathode exhibited a substantial capacity of 597 mAh g-1 after 120 cycles at 50 mA g-1. When evaluated in a pouch cell, the electrode can sustain 100 deep cycles at 40 mA g-1, with an energy density of 203 Wh kg-1 that displays potential for practical applications. Finally, rational heterostructure engineering of transition metal-based sulfides provides new insights into developing cathodes for high-performance sustainable Mg batteries.

Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)

G.Y. acknowledges the support from the Welch Foundation Award F-1861 and Camille Dreyfus Teacher-Scholar Award. M.-F.N. and G.W. acknowledges the National Supercomputing Center (A*CRC) of Singapore using its high-performance computing facilities. M.W. acknowledges key project for technology innovation and industrialization of Fujian province (2023G002).

This research / project is supported by the Agency for Science, Technology and Research - Manufacturing, Trade, and Connectivity Programmatic Fund
Grant Reference no. : M23L9b0052

This research / project is supported by the Agency for Science, Technology and Research - Central Research Fund
Grant Reference no. : NA

https://oar.a-star.edu.sg/communities-collections/articles/21886

2590-2385

Institute of Materials Research and Engineering