#6564. Sulfurized-polyacrylonitrile in lithium-sulfur batteries: Interactions between undercoordinated carbons and polymer structure under low lithiation

December 2026publication date
Proposal available till 05-06-2025
4 total number of authors per manuscript0 $

The title of the journal is available only for the authors who have already paid for
Journal’s subject area:
Fuel Technology;
Energy Engineering and Power Technology;
Electrochemistry;
Energy (miscellaneous);
Places in the authors’ list:
place 1place 2place 3place 4
FreeFreeFreeFree
2350 $1200 $1050 $900 $
Contract №6564.1 Contract №6564.2 Contract №6564.3 Contract №6564.4
1 place - free (for sale)
2 place - free (for sale)
3 place - free (for sale)
4 place - free (for sale)

Abstract:
Lithium-sulfur battery (LSB) represents an important candidate to be used in energy storage applications, due to its high specific capacities. Sulfurized-polyacrylonitrile (SPAN) is a candidate as a host material in LSB to replace graphite, due to its ability to chemisorb polysulfides (PSs). The sulfur chains attached to the polymer can reversibly form Li2S, and SPAN indicates to have a good cyclability and better performance than graphite, thus, SPAN acts partially as an active and also as a host material. In this study, we investigated the capacity of the solvent or the SPAN to lose a hydrogen atom from the backbone, to predict possible anodic reactions between solvent and host material. The simulation suggests that the photophilic salts may preferentially react with the solvent, and possibly building a cathode electrolyte interphase (CEI).
Keywords:
Ab initio molecular dynamics; Density functional theory; Lithium-sulfur batteries; Sulfurized-polyacrylonitrile

Contacts :
0