{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,7]],"date-time":"2026-08-07T15:33:05Z","timestamp":1786116785697,"version":"build-2736575974"},"reference-count":47,"publisher":"American Chemical Society (ACS)","issue":"31","license":[{"start":{"date-parts":[[2026,7,28]],"date-time":"2026-07-28T00:00:00Z","timestamp":1785196800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,7,28]],"date-time":"2026-07-28T00:00:00Z","timestamp":1785196800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,7,28]],"date-time":"2026-07-28T00:00:00Z","timestamp":1785196800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,8,6]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Dielectric relaxation spectroscopy (DRS) provides valuable insights into the rotational dynamics of solvent molecules and ion pairs in lithium-ion battery electrolytes. However, interpretation of experimentally obtained spectra is often challenging due to the superposition of multiple relaxation modes, particularly for low-permittivity solvent solutions. In this study, we investigate LiPF6-based electrolytes with diethyl carbonate (DEC) and propylene carbonate (PC) by combining DRS measurements with molecular dynamics (MD) simulations. The analysis reveals that the dielectric response of DEC-based electrolytes is dominated by ion-pair dynamics, leading to a concentration-dependent increase in the static permittivity, in contrast to the mixed PC + DEC systems, where PC relaxation and ion-pair contributions compete. MD simulations also suggest that the increase in the dielectric constant of DEC-based electrolytes as a function of salt concentration promotes the formation of ion pairs with odd numbers of ions such as free ions and triple ions, likely leading to an increased molar ionic conductivity of the electrolyte. These results suggest that microscopic ion pairings and macroscopic properties such as static permittivity and conductivity are interconnected through mutual feedback.<\/jats:p>","DOI":"10.1021\/acs.jpcb.6c01593","type":"journal-article","created":{"date-parts":[[2026,8,4]],"date-time":"2026-08-04T13:11:57Z","timestamp":1785849117000},"page":"7967-7977","source":"Crossref","is-referenced-by-count":0,"title":["Interplay among\nDielectric, Transport, and Structural\nProperties of Electrolytes Containing Low-Permittivity Carbonates\nStudied by Dielectric Relaxation Spectroscopy and Molecular Dynamics\nSimulations"],"prefix":"10.1021","volume":"130","author":[{"ORCID":"https:\/\/orcid.org\/0009-0009-8943-6604","authenticated-orcid":true,"given":"Mitsunori","family":"Nakamoto","sequence":"first","affiliation":[{"name":"Murata Manufacturing Co., Ltd. , 1-10-1 Higashi-Kotari , , ,","place":["Nagaokakyo, Kyoto, Japan, 617-8555"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Izaya","family":"Okae","sequence":"additional","affiliation":[{"name":"Murata Manufacturing Co., Ltd. , 1-10-1 Higashi-Kotari , , ,","place":["Nagaokakyo, Kyoto, Japan, 617-8555"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kota","family":"Endo","sequence":"additional","affiliation":[{"name":"Murata Manufacturing Co., Ltd. , 1-10-1 Higashi-Kotari , , ,","place":["Nagaokakyo, Kyoto, Japan, 617-8555"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2827-413X","authenticated-orcid":true,"given":"Jihae","family":"Han","sequence":"additional","affiliation":[{"name":"Niigata University , , 8050 Ikarashi, 2-no-cho , , ,","place":["Nishi-ku, Niigata, Japan, 950-2181"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2496-1194","authenticated-orcid":true,"given":"Yasuhiro","family":"Umebayashi","sequence":"additional","affiliation":[{"name":"Niigata University , , 8050 Ikarashi, 2-no-cho , , ,","place":["Nishi-ku, Niigata, Japan, 950-2181"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,7,28]]},"reference":[{"key":"2026080608124831200_cit1","doi-asserted-by":"publisher","first-page":"2101126","DOI":"10.1002\/aenm.202101126","article-title":"Fast Charging of Lithium-Ion Batteries: A Review of Materials Aspects","volume":"11","author":"Weiss","year":"2021","journal-title":"Adv. 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Mater."},{"key":"2026080608124831200_cit4","doi-asserted-by":"publisher","first-page":"1746","DOI":"10.3390\/en17071746","article-title":"Research on\nthe Performance Improvement Method for Lithium-Ion Battery in High-Power\nApplication Scenarios","volume":"17","author":"Zhou","year":"2024","journal-title":"Energies"},{"key":"2026080608124831200_cit5","doi-asserted-by":"publisher","first-page":"17161","DOI":"10.1039\/D4SC05464D","article-title":"Solvation Structure Dependent Ion Transport and Desolvation\nMechanism for Fast-Charging Li-Ion Batteries","volume":"15","author":"Fan","year":"2024","journal-title":"Chem. Sci."},{"key":"2026080608124831200_cit6","doi-asserted-by":"publisher","first-page":"578","DOI":"10.1038\/s41560-020-0647-0","article-title":"Ultrafast\nIon Transport\nat a Cathode-Electrolyte Interface and Its Strong Dependence on Salt\nSolvation","volume":"5","author":"Wen","year":"2020","journal-title":"Nat. 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Soc."},{"key":"2026080608124831200_cit10","first-page":"265","article-title":"Dielectric Spectroscopy\nof Solutions","volume-title":"Novel Approaches to the Structure\nand Dynamics of Liquids: Experiments, Theories and Simulations","author":"Buchner","year":"2004"},{"key":"2026080608124831200_cit11","doi-asserted-by":"publisher","first-page":"2365","DOI":"10.1021\/jp034870p","article-title":"Complexity in \u201cSimple\u201d\nElectrolyte Solutions: Ion Pairing in MgSO4 (aq)","volume":"108","author":"Buchner","year":"2004","journal-title":"J. Phys. Chem. B"},{"key":"2026080608124831200_cit12","doi-asserted-by":"publisher","first-page":"8984","DOI":"10.1039\/b906555p","article-title":"Interactions and Dynamics\nin Electrolyte Solutions\nby Dielectric Spectroscopy","volume":"11","author":"Buchner","year":"2009","journal-title":"Phys. Chem. Chem.\nPhys."},{"key":"2026080608124831200_cit13","first-page":"349","article-title":"Dielectric relaxation\nin solutions. Annual Reports\non the Progress of Chemistry, Section C: Physical","volume":"97","author":"Buchner","year":"2001","journal-title":"Chemistry"},{"key":"2026080608124831200_cit14","doi-asserted-by":"publisher","first-page":"341","DOI":"10.1063\/1.1750906","article-title":"Dispersion and absorption in dielectrics","volume":"9","author":"Cole","year":"1941","journal-title":"J. Chem. Phys."},{"key":"2026080608124831200_cit15","volume-title":"Dielectric and Mechanical\nRelaxation in Materials: Analysis, Interpretation, and Application\nto Polymers","author":"Havriliak","year":"1997"},{"key":"2026080608124831200_cit16","doi-asserted-by":"publisher","first-page":"19438","DOI":"10.1021\/acs.jpcc.8b06035","article-title":"Ionic Conduction\nand Solution Structure in LiPF6 and LiBF4 Propylene\nCarbonate Electrolytes","volume":"122","author":"Hwang","year":"2018","journal-title":"J. Phys. Chem. 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Phys."},{"key":"2026080608124831200_cit19","doi-asserted-by":"publisher","first-page":"1828","DOI":"10.1039\/C7GC00252A","article-title":"Guidelines to Design Organic Electrolytes\nfor Lithium-Ion Batteries: Environmental Impact, Physicochemical and\nElectrochemical Properties","volume":"19","author":"Flamme","year":"2017","journal-title":"Green Chem."},{"key":"2026080608124831200_cit20","doi-asserted-by":"publisher","first-page":"1763","DOI":"10.1021\/jp809614h","article-title":"Quantum Chemistry and Molecular Dynamics Simulation\nStudy of Dimethyl Carbonate: Ethylene Carbonate Electrolytes Doped\nwith LiPF6","volume":"113","author":"Borodin","year":"2009","journal-title":"J. Phys. Chem. B"},{"key":"2026080608124831200_cit21","doi-asserted-by":"publisher","first-page":"10382","DOI":"10.1021\/acs.jpclett.0c03235","article-title":"Why Does Dimethyl Carbonate Dissociate\nLi Salt Better Than Other Linear Carbonates? Critical Role of Polar\nConformers","volume":"11","author":"Lee","year":"2020","journal-title":"J. Phys. Chem. Lett."},{"key":"2026080608124831200_cit22","doi-asserted-by":"publisher","first-page":"18271","DOI":"10.1021\/acs.jpcc.3c03262","article-title":"Role of Solvent\nIsomerism in Mixed Carbonate Electrolytes\nfor Li-Ion Batteries","volume":"127","author":"Koo","year":"2023","journal-title":"J. Phys. Chem. C"},{"key":"2026080608124831200_cit23","doi-asserted-by":"publisher","first-page":"616","DOI":"10.1002\/bbpc.19840880709","article-title":"The Temperature\nDependence of the\nProperties of Electrolyte Solutions. VI. 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Lett."},{"key":"2026080608124831200_cit27","doi-asserted-by":"publisher","first-page":"3095","DOI":"10.1002\/celc.202100927","article-title":"Moderately Concentrated\nAcetonitrile-Containing Electrolytes with High Ionic Conductivity\nfor Durability-Oriented Lithium-Ion Batteries","volume":"8","author":"Matsuoka","year":"2021","journal-title":"ChemElectroChem."},{"key":"2026080608124831200_cit28","doi-asserted-by":"publisher","first-page":"174503","DOI":"10.1063\/5.0147378","article-title":"Dielectric Relaxation\nand Dielectric Decrement in Ionic\nAcetamide Deep Eutectic Solvents: Spectral Decomposition and Comparison\nwith Experiments","volume":"158","author":"Maji","year":"2023","journal-title":"J. Chem. Phys."},{"key":"2026080608124831200_cit29","doi-asserted-by":"publisher","first-page":"084506","DOI":"10.1063\/5.0193512","article-title":"Temperature-Dependent Dielectric\nRelaxation Measurements of (Acetamide + K\/Na SCN) Deep Eutectic Solvents:\nDecoding the Impact of Cation Identity via Computer Simulations","volume":"160","author":"Mondal","year":"2024","journal-title":"J. Chem. Phys."},{"key":"2026080608124831200_cit30","doi-asserted-by":"publisher","first-page":"6567","DOI":"10.1021\/acs.jpcb.4c02784","article-title":"Temperature-Dependent\nDielectric Relaxation Measurements of (Betaine + Urea + Water) Deep\nEutectic Solvent in Hz-GHz Frequency Window: Microscopic Insights\ninto Constituent Contributions and Relaxation Mechanisms","volume":"128","author":"Mondal","year":"2024","journal-title":"J. Phys. Chem. 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Phys."},{"issue":"6","key":"2026080608124831200_cit40","doi-asserted-by":"publisher","first-page":"2387","DOI":"10.1021\/ja01333a026","article-title":"Properties of Electrolytic\nSolutions. IV. The Conductance\nMinimum and the Formation of Triple Ions Due to the Action of Coulomb\nForces","volume":"55","author":"Fuoss","year":"1933","journal-title":"J. Am. Chem. Soc."},{"issue":"50","key":"2026080608124831200_cit41","doi-asserted-by":"publisher","first-page":"10896","DOI":"10.1021\/jp971398x","article-title":"Relationship between Triple Ion Formation\nConstants and the Salt\nConcentration of the Minimum in the Conductometric Curves in Low-Permittivity\nSolvents","volume":"101","author":"Chen","year":"1997","journal-title":"J. Phys. Chem. B"},{"key":"2026080608124831200_cit42","doi-asserted-by":"publisher","first-page":"10908","DOI":"10.1039\/D4SC01491J","article-title":"Cluster Analysis as a Tool for Quantifying Structure-Transport\nProperties in Simulations of Superconcentrated Electrolytes","volume":"15","author":"Bi","year":"2024","journal-title":"Chem. Sci."},{"key":"2026080608124831200_cit43","doi-asserted-by":"publisher","first-page":"11924","DOI":"10.1021\/acs.jpcb.4c05521","article-title":"Correlating Ionic Conductivity to\nStructure and Dynamics of Li-Ion Battery Electrolyte Systems: Raman\nSpectroscopy, Dielectric Relaxation Measurements, and Streak Camera\nSolvation Data Analysis","volume":"128","author":"Mondal","year":"2024","journal-title":"J. Phys. Chem. B"},{"key":"2026080608124831200_cit44","doi-asserted-by":"publisher","first-page":"A2406","DOI":"10.1149\/2.0041514jes","article-title":"Review-Superconcentrated Electrolytes\nfor Lithium Batteries","volume":"162","author":"Yamada","year":"2015","journal-title":"J. Electrochem. Soc."},{"key":"2026080608124831200_cit45","doi-asserted-by":"publisher","first-page":"010522","DOI":"10.1149\/1945-7111\/abd60e","article-title":"Review-Localized High-Concentration\nElectrolytes for Lithium Batteries","volume":"168","author":"Cao","year":"2021","journal-title":"J. Electrochem.\nSoc."},{"key":"2026080608124831200_cit46","doi-asserted-by":"publisher","first-page":"904","DOI":"10.1038\/s41560-025-01801-0","article-title":"Self-Adaptive Electrolytes\nfor Fast-Charging Batteries","volume":"10","author":"Zhao","year":"2025","journal-title":"Nat. Energy"},{"key":"2026080608124831200_cit47","doi-asserted-by":"publisher","first-page":"A501","DOI":"10.1149\/2.0891503jes","article-title":"Electrolyte\nSolvation and Ionic Association: VI. Acetonitrile-Lithium\nSalt Mixtures: Highly Associated Salts Revisited","volume":"162","author":"Borodin","year":"2015","journal-title":"J. Electrochem. Soc."}],"container-title":["The Journal of Physical\nChemistry B"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpcb.6c01593","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/jpcbfk\/article-pdf\/130\/31\/7967\/66304590\/acs.jpcb.6c01593.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.acs.org\/jpcbfk\/article-pdf\/130\/31\/7967\/66304590\/acs.jpcb.6c01593.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,8,6]],"date-time":"2026-08-06T12:28:56Z","timestamp":1786019336000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/jpcbfk\/article\/130\/31\/7967\/5235326\/Interplay-among-Dielectric-Transport-and"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,7,28]]},"references-count":47,"journal-issue":{"issue":"31","published-online":{"date-parts":[[2026,7,28]]},"published-print":{"date-parts":[[2026,8,6]]}},"URL":"https:\/\/doi.org\/10.1021\/acs.jpcb.6c01593","relation":{},"ISSN":["1520-6106","1520-5207"],"issn-type":[{"value":"1520-6106","type":"print"},{"value":"1520-5207","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,7,28]]}}}