文献类型：期刊文献

英文题名：Polysulfide conversion enhanced by the synergistic effect of anthraquinone and Fe-N4 on sulfur crystals

作者：Shao, Jiayi Wang, Zining Wang, Hanxiao Ma, Xianguo Wang, Xuyun Wang, Hui Huang, Hongsheng Ren, Jianwei Wang, Rongfang

第一作者：Shao, Jiayi

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

机构：[1]Qingdao Univ Sci & Technol, Coll Chem Engn, Qingdao 266042, Peoples R China;[2]Tongji Univ, Sch Chem Sci & Engineer, 1239 Siping Rd, Shanghai 200092, Peoples R China;[3]Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, Shandong Energy Inst, Qingdao New Energy Shandong Lab, Qingdao 266101, Peoples R China;[4]Guizhou Inst Technol, Sch Chem Engn, Guiyang 550003, Peoples R China;[5]Univ Pretoria, Dept Chem Engn, Cnr Lynnwood Rd & Roper St, ZA-0028 Hatfield, South Africa

第一机构：Qingdao Univ Sci & Technol, Coll Chem Engn, Qingdao 266042, Peoples R China

通信机构：corresponding author), Qingdao Univ Sci & Technol, Coll Chem Engn, Qingdao 266042, Peoples R China;corresponding author), Guizhou Inst Technol, Sch Chem Engn, Guiyang 550003, Peoples R China;corresponding author), Univ Pretoria, Dept Chem Engn, Cnr Lynnwood Rd & Roper St, ZA-0028 Hatfield, South Africa.|贵州理工学院化学工程学院;贵州理工学院;

年份：2025

卷号：639

外文期刊名：JOURNAL OF POWER SOURCES

收录：;EI(收录号：20251017989817);Scopus(收录号：2-s2.0-85219393995);WOS:【SCI-EXPANDED(收录号:WOS:001440988500001)】；

基金：The authors would like to express their gratitude for the financial support received from Natural Science Foundation of Guizhou Province (Grants No. QKHJC-ZK [2023] Key 019) , Top Talent Project of Guizhou Provincial Department of Education (Grant No. QJJ [2022] 084) , and Key Laboratory of Energy Chemistry in Guizhou universities (Grants No. QJJ [2022] 035) .

语种：英文

外文关键词：Lithium-sulfur battery; Anthraquinone molecule; DFT calculation; Sulfur crystal plane; Average grain size

摘要：The shuttle effect is a key factor contributing to reduced sulfur utilization in lithium-sulfur batteries, while the average grain size of sulfur on a specific crystal plane indirectly influences the distribution of polysulfides on the sulfur cathode. When the grain size increases, the ratio of atoms across different grains at the grain boundaries decreases, which reduces the boundary area and causes sulfur aggregation. Thus, adjusting the average grain size on a particular crystal plane poses the potential to effectively enhance the utilization rate of active materials. In this study, anthraquinone (AQ) is adsorbed onto iron and nitrogen-doped carbon materials via it-it stacking. These materials regulate the grain size of sulfur on a specific crystal plane through a dual adsorption mechanism involving both physical and chemical interactions, which creates more active sites to adsorb and immobilize polysulfides. This, in turn, minimizes their detrimental effect on the active material and improves sulfur utilization and discharge specific capacity. The analysis shows that the average grain size of sulfur on the (222) crystal plane in the S@AQ/Fe-NC sample is reduced to 622 & Aring;, which is about 378 & Aring; smaller than that of the S@Fe-NC sample. This significant reduction greatly enhances sulfur utilization. As a consequence, the initial discharge capacity of the optimal S@AQ/Fe-NC sample reaches 816.9 mAh g- 1 at 0.2 C, with an improvement of 62.2 mAh g- 1 compared to the S@Fe-NC sample. The result indicates that reducing the grain size can effectively improve sulfur utilization and consequently boost the battery's discharge specific capacity.