文献类型：期刊文献

英文题名：Isomeric dichloropyrazine of dual-function additives: Synergistic enhancement of lithium anode protection and sulfur redox kinetics in lithium-sulfur batteries

作者：Nie, Kunlun Fu, Qianqian Wang, Min Teng, Chao Gao, Ruili Ma, Xianguo Wang, Xuyun Ren, Jianwei Wang, Rongfang Wang, Hui

第一作者：Nie, Kunlun

通信作者：Ma, XG[1];Ma, XG[2];Wang, H[2];Teng, C[3];Ren, JW[4]

机构：[1]Guizhou Inst Technol, Sch Chem Engn, Guiyang 550003, Guizhou, Peoples R China;[2]Qingdao Univ Sci & Technol, Coll Chem Engn, Qingdao 266042, Peoples R China;[3]Qingdao Univ Sci & Technol, Coll Mat Sci & Engn, Qingdao 266042, Peoples R China;[4]Univ Johannesburg, Dept Mech Engn Sci, Cnr Kingsway & Univ Rd, ZA-2092 Johannesburg, South Africa

第一机构：贵州理工学院化学工程学院

通信机构：corresponding author), Guizhou Inst Technol, Sch Chem Engn, Guiyang 550003, Guizhou, Peoples R China;corresponding author), Qingdao Univ Sci & Technol, Coll Chem Engn, Qingdao 266042, Peoples R China;corresponding author), Qingdao Univ Sci & Technol, Coll Mat Sci & Engn, Qingdao 266042, Peoples R China;corresponding author), Univ Johannesburg, Dept Mech Engn Sci, Cnr Kingsway & Univ Rd, ZA-2092 Johannesburg, South Africa.|贵州理工学院化学工程学院;贵州理工学院;

年份：2024

卷号：613

外文期刊名：JOURNAL OF POWER SOURCES

收录：;EI(收录号：20242516264023);Scopus(收录号：2-s2.0-85195883246);WOS:【SCI-EXPANDED(收录号:WOS:001257963600001)】；

基金：The authors thank the National Natural Science Foundation of China (51963004) , and the Natural Science Foundation of Shandong Province of China (ZR2020MB024) for financially supporting this work.

语种：英文

外文关键词：Lithium-sulfur batteries; Isomers; Dichloropyrazine additives; Lithium anode; Polysulfides

摘要：Lithium-sulfur batteries (LSBs) currently face challenges such as low sulfur utilization, inadequate cycling stability, and unstable lithium anode interfaces. In this study, dichloropyrazines (DCPs) are introduced as dual-functional additives into electrolyte and 2,5-DCP exhibits the most promising performance enhancement. This superiority can be attributed to its strong redox activity, lower molecular orbital energy gap, and more negative relative binding energy compared to the other DCP isomers. Specifically, DCPs demonstrate their dual functionality by promoting the formation of a stable organic-inorganic hybrid solid electrolyte interface (SEI) rich in LiCl on lithium anodes. This ensures uniform lithium deposition and suppresses dendrite growth. At sulfur cathodes, density functional theory (DFT) calculations confirm that DCPs facilitate lithium polysulfides (LiPSs) conversion kinetics through Li-N bond formation. LSBs with 2,5-DCP exhibit excellent stability at a 1C rate and retain 86.6 % capacity after 800 cycles. This study demonstrates DCPs' potential as effective dual-functional electrolyte additives in designing high-performance LSBs.