期刊
ACS APPLIED MATERIALS & INTERFACES
卷 13, 期 12, 页码 14230-14238出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsami.0c22811
关键词
sulfurized polyacrylonitrile; X-ray photoelectron spectroscopy; solid-state NMR; bond formation; reaction pathway
资金
- Ministry of Science and Technology [MOST 109-2639-E-011-001-ASP, 109-2923-E-011-008, 109-3116-F-011-CC1, 109-2124-M-002-008, 1092923-E-011-009, 109-2221-E-011-063-MY3, 108-2923-E011-002]
- M-ERA.NET Program (ACHiLiS project)
- Bundesministerium fur Bildung und Forschung (BMBF)
- National Synchrotron Radiation Research Center (NSRRC)
This study proposes a more reasonable molecular structure for S-cPAN, focusing on the coexistence of vicinal NPD/NPL entities which play a vital role in attracting S-2 molecules and facilitating N-S bond formation, explaining the extraordinary electrochemical features of S-cPAN among various nitrogen-containing sulfurized polymers.
Sulfurized polyacrylonitrile (S-cPAN) has been recognized as a particularly promising cathode material for lithiumsulfur (Li-S) batteries due to its ultra-stable cycling performance and high degree of sulfur utilization. Though the synthetic conditions and routes for modification of S-cPAN have been extensively studied, details of the molecular structure of S-cPAN remain yet unclear. Herein, a more reasonable molecular structure consisting of pyridinic/pyrrolic nitrogen (NPD/NPL) is proposed, based on the analysis of combined X-ray photoelectron spectroscopy, C-13/N-15 solid-state nuclear magnetic resonance, and density functional theory data. The coexistence of vicinal NPD/NPL entities plays a vital role in attracting S-2 molecules and facilitating N-S bond formation apart from the generally accepted C-S bond in S-cPAN, which could explain the extraordinary electrochemical features of S-cPAN among various nitrogen-containing sulfurized polymers. This study provides new insights and a better understanding of structural details and relevant bond formation mechanisms in S-cPAN, providing a foundation for the design of new types of sulfurized cathode materials suitable for application in next-generation high-performance Li-S batteries.
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