DFT Simulation-Based Design of 1T-MoS<sub>2</sub> Cathode Hosts for Li-S Batteries and Experimental Evaluation

DFT Simulation-Based Design of 1T-MoS<sub>2</sub> Cathode Hosts for Li-S Batteries and Experimental Evaluation

The main challenge in lithium sulphur (Li-S) batteries is the shuttling of lithium polysulphides (LiPSs) caused by the rapid LiPSs migration to the anode and the slow reaction kinetics in the chain of LiPSs conversion. In this study, we explore 1T-MoS<sub>2</sub> as a cathode host for Li...

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Bibliographic Details
Main Authors: Elaheh Hojaji, Eleftherios I. Andritsos, Zhuangnan Li, Manish Chhowalla, Constantina Lekakou, Qiong Cai
Format: Article
Language:English
Published: MDPI AG 2022-12-01
Series:International Journal of Molecular Sciences
Subjects:
Li-S battery
cathode
1T-MoS<sub>2</sub>
sulphur vacancy
reaction pathway
Online Access:https://www.mdpi.com/1422-0067/23/24/15608

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