多硫化物
硫黄
阴极
锂(药物)
材料科学
溶解
吸附
氮气
化学工程
纳米技术
化学
有机化学
电极
物理化学
工程类
电解质
内分泌学
冶金
医学
作者
Chenghao Yao,Wei Li,Di Kang,Changfei Zhu,Jinze Li,Qingyin Ren,Gang Bai
出处
期刊:Nanomaterials
[MDPI AG]
日期:2021-09-23
卷期号:11 (10): 2478-2478
被引量:8
摘要
Lithium-sulfur (Li-S) batteries have received extensive attention due to their high theoretical specific capacity and theoretical energy density. However, their commercialization is hindered by the shuttle effect caused by the dissolution of lithium polysulfide. To solve this problem, a method is proposed to improve the performance of Li-S batteries using Ti2N(Ti2NS2) with S-functional groups as the sulfur cathode host material. The calculation results show that due to the mutual attraction between Li and S atoms, Ti2NS2 has the moderate adsorption energies for Li2Sx species, which is more advantageous than Ti2NO2 and can effectively inhibit the shuttle effect. Therefore, Ti2NS2 is a potential cathode host material, which is helpful to improve the performance of Li-S batteries. This work provides a reference for the design of high-performance sulfur cathode materials.
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