{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,17]],"date-time":"2026-09-17T15:03:37Z","timestamp":1789657417226,"version":"4.0.1"},"reference-count":35,"publisher":"American Chemical Society (ACS)","issue":"37","license":[{"start":{"date-parts":[[2026,9,4]],"date-time":"2026-09-04T00:00:00Z","timestamp":1788480000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,9,4]],"date-time":"2026-09-04T00:00:00Z","timestamp":1788480000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,9,4]],"date-time":"2026-09-04T00:00:00Z","timestamp":1788480000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100014538","name":"Lembaga Pengelola Dana Pendidikan","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100014538","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004423","name":"Waseda University","doi-asserted-by":"publisher","award":["2026C-514"],"award-info":[{"award-number":["2026C-514"]}],"id":[{"id":"10.13039\/501100004423","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,9,17]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>In recent years, lithium\u2013sulfur (Li\u2013S) batteries have become attractive owing to their high energy density and higher charge-storage capacity than Li-ion batteries. Despite this, practical applications of Li\u2013S batteries remain limited by several challenges that still need to be resolved, including Li-dendrite formation, which leads to short-circuiting. In the present study, divide-and-conquer density-functional tight-binding molecular dynamics (DC-DFTB-MD) simulations examine neutral cyclo-S8, while lithium polysulfides and polysulfide anions are not included. Increasing LiOTf concentration generally reduces the self-diffusion coefficients because denser, more highly coordinated ionic environments restrict translational motion. The Li+ ion preferentially coordinates with electronegative oxygen atoms of the solvent and triflate anion, whereas nonpolar, neutral S8 interacts mainly through induced-polarization and dispersion forces. These competing coordination environments explain the weak direct Li+\u2013S8 association and the coupled decline of ionic and molecular mobility with salt loading.<\/jats:p>","DOI":"10.1021\/acs.jpcb.6c03715","type":"journal-article","created":{"date-parts":[[2026,9,4]],"date-time":"2026-09-04T21:02:20Z","timestamp":1788555740000},"page":"9605-9623","source":"Crossref","is-referenced-by-count":0,"title":["Salt and Solvent\nControl of Elemental Sulfur (Cyclo-S8) and Lithium-Ion\nDiffusion in Liquid Li\u2013S Battery\nElectrolytes Revealed by DFTB Molecular Dynamics"],"prefix":"10.1021","volume":"130","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5119-4648","authenticated-orcid":true,"given":"Mirella Fonda","family":"Maahury","sequence":"first","affiliation":[{"name":"Waseda University , , ,","place":["Tokyo, Japan, 169-8555"]},{"name":"Pattimura University , , , ,","place":["Ambon, Maluku, Indonesia, 97233"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abel","family":"Natawardaja","sequence":"additional","affiliation":[{"name":"Waseda University , , ,","place":["Tokyo, Japan, 169-8555"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Cedric Naravisnu","family":"Purwanto","sequence":"additional","affiliation":[{"name":"Waseda University , , ,","place":["Tokyo, Japan, 169-8555"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1515-4400","authenticated-orcid":true,"given":"Aditya Wibawa","family":"Sakti","sequence":"additional","affiliation":[{"name":"Waseda University , , ,","place":["Tokyo, Japan, 169-8555"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5646-2931","authenticated-orcid":true,"given":"Hiromi","family":"Nakai","sequence":"additional","affiliation":[{"name":"Waseda University , , ,","place":["Tokyo, Japan, 169-8555"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,9,4]]},"reference":[{"key":"2026091708472839300_cit1","doi-asserted-by":"publisher","first-page":"716","DOI":"10.1016\/j.ensm.2020.11.008","article-title":"Towards high-energy-density lithium-ion batteries: Strategies for\ndeveloping high-capacity lithium-rich cathode materials","volume":"34","author":"Zhao","year":"2021","journal-title":"Energy Storage Mater."},{"key":"2026091708472839300_cit2","doi-asserted-by":"publisher","first-page":"252","DOI":"10.1016\/j.mattod.2014.10.040","article-title":"Li-ion battery\nmaterials","volume":"18","author":"Nitta","year":"2015","journal-title":"Mater. 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