期刊
ACS APPLIED ENERGY MATERIALS
卷 4, 期 11, 页码 13070-13076出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsaem.1c02712
关键词
polypeptoid material; electronic properties; charge-transfer mechanism; binding of lithium polysulfides; Li-S battery
资金
- Swedish Research Council [VR-2016-06014, VR2020-04410]
- J. Gust. Richert stiftelse, Sweden [2021-00665]
The experimentally synthesized polypeptoid nanosheet crystal structure has brought significant advances in soft material imaging and designing biomimetic nanomaterials. By investigating the electronic structure and charge-transfer mechanism of the polypeptoid material, it was found that the material can effectively suppress the shuttle effect of LiPSs.
Nowadays, lithium-sulfur (Li-S) batteries have attracted considerable attention as a potential candidate for next-generation rechargeable batteries due to their high theoretical specific energy and environmental friendliness. One of the main problems with Li-S batteries is that the lithium polysulfides (LiPSs) easily decompose in the electrolyte which is known as the shuttle effect. Recently, the polypeptoid nanosheet crystal structure has been experimentally synthesized which is very useful for tremendous advances in soft material imaging as well as enabling to design biomimetic nanomaterials. Due to the very interesting properties of the polypeptoid material, we have investigated the electronic structure and charge-transfer mechanism for the lithium-sulfur batteries for the cathode material. The calculated adsorption energies of LiPSs on the surface of the polypeptoid material are in the range of -4.41 to -4.64 and -0.91 eV for the sulfur clusters. Also, the adsorption energies between the interaction of LiPSs and electrolytes (DME and DOL) are 0.75-0.89 eV. It means that the polypeptoid material could suppress the shuttle effect of LiPSs and significantly enhance the cycling performance of Li-S batteries. From these investigated results, the polypeptoid material will be a promising anchoring material for Li-S batteries.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据