ChemElectroChem
ChemElectroChem
5 years ago

Cover Feature: Structural Motifs for Modeling Sulfur-Poly(acrylonitrile) Composite Materials in Sulfur-Lithium Batteries (ChemElectroChem 10/2017)

Cover Feature: Structural Motifs for Modeling Sulfur-Poly(acrylonitrile) Composite Materials in Sulfur-Lithium Batteries (ChemElectroChem 10/2017)
Matthias Hanauer, Jonathan E. Mueller, Tianwei Zhu, Timo Jacob, Ulrich Sauter
The Inside Cover picture illustrates key structural motifs of cyclized-poly(acrylonitrile) (PAN) and sulfur/PAN composite (SPAN), which are identified and their energies are evaluated by using density functional theory. A zig-zag configuration with multiple kink sites is energetically favorable for PAN materials. The most stable SPAN configurations typically contain S=C double bonds at kink and edge sites and sulfur chains that bridge between neighboring backbones. More details can be found in the Article by T. Jacob and co-workers on page 2494 in Issue 10, 2017 (DOI: 10.1002/celc.201700428).

Publisher URL: http://onlinelibrary.wiley.com/resolve/doi

DOI: 10.1002/celc.201700895

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