Theoretical Calculation Guided Design of Single-Atom Catalysts toward Fast Kinetic and Long-Life Li-S Batteries
文献类型：期刊论文
| 作者 | Zhou, Guangmin; Wang, Shiyong; Wang, Tianshuai; Yang, Shi-Ze; Johannessen, Bernt; Chen, Hao; Liu, Chenwei; Ye, Yusheng; Wu, Yecun; Peng, Yucan |
| 刊名 | NANO LETTERS
 |
| 出版日期 | 2020-02-01 |
| 卷号 | 20期号:2页码:1252-1261 |
| DOI | 10.1021/acs.nanolett.9b04719 |
| 英文摘要 | Lithium-sulfur (Li-S) batteries are promising next-generation energy storage technologies due to their high theoretical energy density, environmental friendliness, and low cost. However, low conductivity of sulfur species, dissolution of polysulfides, poor conversion from sulfur reduction, and lithium sulfide (Li2S) oxidation reactions during discharge-charge processes hinder their practical applications. Herein, under the guidance of density functional theory calculations, we have successfully synthesized large-scale single atom vanadium catalysts seeded on graphene to achieve high sulfur content (80 wt % sulfur), fast kinetic (a capacity of 645 mAh g(-1) at 3 C rate), and long-life Li-S batteries. Both forward (sulfur reduction) and reverse reactions (Li2S oxidation) are significantly improved by the single atom catalysts. This finding is confirmed by experimental results and consistent with theoretical calculations. The ability of single metal atoms to effectively trap the dissolved lithium polysulfides (LiPSs) and catalytically convert the LiPSs/Li2S during cycling significantly improved sulfur utilization, rate capability, and cycling life. Our work demonstrates an efficient design pathway for single atom catalysts and provides solutions for the development of high energy/power density Li-S batteries. |
| WOS记录号 | WOS:000514255400054 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/83177]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | Zhou, Guangmin,Wang, Shiyong,Wang, Tianshuai,et al. Theoretical Calculation Guided Design of Single-Atom Catalysts toward Fast Kinetic and Long-Life Li-S Batteries[J]. NANO LETTERS,2020,20(2):1252-1261. |
| APA | Zhou, Guangmin.,Wang, Shiyong.,Wang, Tianshuai.,Yang, Shi-Ze.,Johannessen, Bernt.,...&Cui, Yi.(2020).Theoretical Calculation Guided Design of Single-Atom Catalysts toward Fast Kinetic and Long-Life Li-S Batteries.NANO LETTERS,20(2),1252-1261. |
| MLA | Zhou, Guangmin,et al."Theoretical Calculation Guided Design of Single-Atom Catalysts toward Fast Kinetic and Long-Life Li-S Batteries".NANO LETTERS 20.2(2020):1252-1261. |
入库方式： OAI收割
来源：金属研究所
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