Formation Mechanism and Molecular Structure of Sulfurized Polyacrylonitrile
Abstract
AbstractLithium‐sulfur (Li‐S) batteries have attracted considerable attention due to their high theoretical energy density and abundant sulfur resources. Sulfurized polyacrylonitrile (SPAN) effectively suppresses polysulfide dissolution and demonstrates excellent cycling stability, making it a promising candidate for cathode materials in practical Li‐SPAN batteries. This study elucidates the formation mechanism, chemical bonds, and spatial structures of SPAN. The reaction begins with the generation of ·S2· diradicals, followed by the dehydrogenation and cyclization of polyacrylonitrile (PAN), ultimately resulting in the formation of C─S and N─S bonds. The multilayered structure of SPAN, characterized by C‐S and N‐S layers twisted at angles of ≈30 to 40 degrees and interconnected by C─Sx─N bonds, has the potential to chemically confine sulfur up to a maximum of 63.5 wt.%, corresponding to a theoretical capacity exceeding 1000 mAh g−1. These findings provide fundamental insights for the design of SPAN materials for advanced X‐SPAN batteries.
Article Details
Authors (10)
Jiqiong Liu
Department of Chemical Engineering Shanghai Jiao Tong University Shanghai P. R. China
Huichao Lu
Department of Chemical Engineering Shanghai Jiao Tong University Shanghai P. R. China
Xirong Kong
State Key Laboratory of Chemistry and Utilization of Carbon‐Based Energy Resources College of Chemistry Xinjiang University Urumqi Xinjiang 830046 P. R. China
Yuanjie Guan
School of Materials Science and Engineering Department of Chemical Engineering Shanghai Jiao Tong University Shanghai 200240 P. R. China
Qihang Wang
Ben Chong
State Key Laboratory of Chemistry and Utilization of Carbon Based Energy Resources College of Chemistry Xinjiang University Urumqi P. R. China
Jun Yang
Yanna NuLi
School of Chemistry and Chemical Engineering Shanghai Electrochemical Energy Devices Research Center Shanghai Jiao Tong University Shanghai China
Huanan Duan
State Key Laboratory of Metal Matrix Composites School of Materials Science and Engineering Shanghai Jiao Tong University Shanghai P. R. China
Jiulin Wang
School of Chemistry and Chemical Engineering Shanghai Electrochemical Energy Devices Research Center Shanghai Jiao Tong University Shanghai China