Atomistic discharge studies of sulfurized-polyacrylonitrile through ab initio molecular dynamics

Erstveröffentlichung

2022

Authors

Bertolini, Samuel

Jacob, Timo

Wissenschaftlicher Artikel

Published in

Electrochimica Acta ; 403 (2022). - Art.-Nr. 139538. - ISSN 0013-4686. - eISSN 1873-3859

Link to publication

https://dx.doi.org/10.1016/j.electacta.2021.139538

Faculties

Fakultät für Naturwissenschaften

Institutions

Institut für Elektrochemie

External cooperations

Helmholtz-Institut Ulm

Subject headings

[Free subject headings]: Density functional theory (DFT) | Ab initio molecular dynamics (AIMD) | Lithium-sulfur batteries | Sulfurized-polyacrylonitrile (SPAN) | Discharge process | TOTAL-ENERGY CALCULATIONS | LITHIUM-METAL ANODE | COMPOSITE CATHODE | BATTERIES | POLYSULFIDE | ELECTROLYTE | SURFACE | NANOTUBES | IMPROVEMENT | GRAPHENE
[DDC subject group]: DDC 540 / Chemistry & allied sciences

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