Theoretical identification of the superior anchoring effect and electrochemical performance of Ti2CS2 by single atom Zn doping for lithium–sulfur batteries

• Published in: Physical chemistry chemical physics : PCCP Vol. 25; no. 29; pp. 19795 - 19803
• Main Authors: Wang, Mingyang, Mao, Jianjun, Pang, Yudong, Zhang, Xilin, Wang, Haiyan, Yang, Zongxian, Lu, Zhansheng, Yang, Shuting
• Format: Journal Article
• Language: English
• Published: Cambridge Royal Society of Chemistry 26.07.2023
• Subjects: Catalysis; Catalytic activity; Density functional theory; Diffusion barriers; Doping; Electrochemical analysis; Electrode materials; Electronic properties; Electronic structure; Electrons; Energy storage; Lewis acid; Lithium; Lithium sulfur batteries; Polysulfides; Storage systems

As one of the promising next-generation energy storage systems, lithium–sulfur (Li–S) batteries have been the subject of much recent attention. However, the polysulfide shuttle effect remains problematic owing to the dissolution of intermediate polysulfide species in the electrolyte and the sluggish...