Journal Article

FZJ-2021-05559

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Origin of shuttle-free sulfurized polyacrylonitrile in lithium-sulfur batteries

Huang, C.-J. ; Cheng, J.-H. ; Su, W.-N. ; Partovi-Azar, P. ; Kuo, L.-Y. ; Tsai, M.-C. ; Lin, M.-H. ; Panahian Jand, S. ; Chan, T.-S. ; Wu, N.-L. ; Kaghazchi, P.FZJ* ; Dai, H. ; Bieker, P. M.FZJ* ; Hwang, B.-J.FZJ*

2021
Elsevier New York, NY [u.a.]

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Please use a persistent id in citations: doi:10.1016/j.jpowsour.2021.229508

Abstract: Sulfurized polyacrylonitrile (S-cPAN) shows an intrinsic shuttle-free capability during cycling with high reversible capacity, making it a promising material for lithium-sulfur (Li–S) battery. However, the lithiation/delithiation mechanism of S-cPAN is still debatable and unclear. In this work, the fundamental reaction mechanism of S-cPAN cathode material is unveiled by in-situ Raman and in-situ X-ray absorption (XAS) spectroscopies. Together with density functional theory calculation, the formation of -N-Sx-N- (x < 4) bridges besides C–S- and –S-S- bonds during the synthesis process is proposed. These sulfur-nitrogen bonds and their strong interactions in the S-cPAN compounds are first observed to account for the proposed solid-solid transformation during the lithiation/delithiation of S-cPAN. Surprisingly, the cPAN backbone is also found to be involved in the charge compensation while the ordered Li2S along the nitrogen edge on the PAN matrix is suggested to form when S-cPAN is fully lithiated. The proposed modified mechanism deciphers the outstanding electrochemical performance of S-cPAN, providing a new pathway for designing high capacity, shuttle-free cathode materials for next-generation Li–S batteries, and a new perspective of sulfur chemistry.

Note: Kein Post-print vorhanden.

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Contributing Institute(s):

1. Werkstoffsynthese und Herstellungsverfahren (IEK-1)

Research Program(s):

1. 1221 - Fundamentals and Materials (POF4-122) (POF4-122)

Appears in the scientific report 2022

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Database coverage:
; Clarivate Analytics Master Journal List ; Current Contents - Engineering, Computing and Technology ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; Essential Science Indicators ; IF >= 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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