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• W4311453567 startingPage "352" @default.
• W4311453567 abstract "New high-performance battery designs need to be developed to feed the growing needs of electrostatic energy storage. Magnesium-Sulfur (Mg-S) batteries are fast emerging as a promising candidate in the last few years. However, they are plagued by viability issues due to the ‘Shuttle Effect’ slowing down the reaction kinetic and causing rapid decay of battery capacity. The shuttle effect is due to the formation of meta-stable magnesium polysulfides (MgSx) that are soluble in the battery electrolyte. The formation of these polysulfides reduces the efficiency of the cell reaction and causes a loss of electrode material since the polysulfides cannot be recycled. To combat these issues, vanadium tetra sulfide (VS4) has been identified as a potential adsorbent for the MgSx, which can help recycle them and act as a catalyst. In this project, the adsorption capacity of the [1 1 0] surface of VS4 towards various MgSx has been computationally investigated by performing ab initio Density Functional Theory (DFT) calculations. The adsorption energies of various MgSx upon adsorption on (VS4) have been calculated. The results are promising, and hint at the good efficacy of (VS4) in Mg-S batteries, similar to Lithium-Sulfur (Li-S) batteries." @default.
• W4311453567 created "2022-12-26" @default.
• W4311453567 creator A5006865395 @default.
• W4311453567 creator A5037648290 @default.
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• W4311453567 date "2023-01-01" @default.
• W4311453567 modified "2023-10-16" @default.
• W4311453567 title "Computational study of adsorption of magnesium polysulfides on VS4 magnesium sulfur batteries" @default.
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• W4311453567 doi "https://doi.org/10.1016/j.matpr.2022.11.399" @default.
• W4311453567 hasPublicationYear "2023" @default.
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