First‐Principles Investigations to Evaluate NiCl2/NiF2 as Cycle‐Catalyzed Electrolyte Additives to Improve Li–S Batteries’ Performance

The potential application of two electrolyte additives, NiCl2‐DME and NiF2‐DME, in lithium–sulfur batteries is investigated by density functional theory calculations. The results show that both electrolyte additives can effectively adsorb soluble lithium polysulfide (LiPSs) in the electrolyte. With...

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Veröffentlicht in:	Energy technology (Weinheim, Germany) Germany), 2023-04, Vol.11 (4), p.n/a
Hauptverfasser:	Wang, Bingqian, Lu, Shuhan, Zhang, Panyu, Jiang, Xiaoli, Zhao, Xinxin, Wang, LiLi, Yin, ZhiXiang, Wu, Jianbao
Format:	Artikel
Sprache:	eng
Schlagworte:	Additives Density functional theory electrolyte additives Ethane Li-S batteries Lithium Lithium sulfur batteries Nickel chloride Nickel fluorides polysulfide Polysulfides Sulfur
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