Academic Journal
Computational Screening of the Physical Properties of Water-in-Salt Electrolytes
| العنوان: | Computational Screening of the Physical Properties of Water-in-Salt Electrolytes |
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| المؤلفون: | Mendez‐morales, Trinidad, Méndez-Morales, Trinidad, Li, Zhujie, Salanne, Mathieu |
| المساهمون: | Maison de la Simulation (MDLS), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Institut National de Recherche en Informatique et en Automatique (Inria)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), PHysicochimie des Electrolytes et Nanosystèmes InterfaciauX (PHENIX), Institut de Chimie - CNRS Chimie (INC-CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), ANR-19-CE05-0014,BALWISE,Batteries aqueuses au Li utilisant des électrolytes superconcentrés(2019) |
| المصدر: | EISSN: 2566-6223 ; Batteries & Supercaps ; https://hal.sorbonne-universite.fr/hal-03103513 ; Batteries & Supercaps, 2020, ⟨10.1002/batt.202000237⟩ |
| بيانات النشر: | CCSD Wiley |
| سنة النشر: | 2020 |
| المجموعة: | Université de Versailles Saint-Quentin-en-Yvelines: HAL-UVSQ |
| مصطلحات موضوعية: | Li-ion batteries, supercapacitors, superconcentrated electrolytes, transport properties, [SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/Microelectronics, [CHIM]Chemical Sciences, [PHYS]Physics [physics] |
| الوصف: | International audience ; Water-in-salts form a new family of electrolytes with properties distinct from the ones of conventional aqueous systems and ionic liquids. They are currently investigated for Li-ion batteries and supercapacitors applications, but to date most of the focus was put on the system based on the LiTFSI salt. Here we study the structure and the dynamics of a series of water-in-salts with different anions. They have a similar parent structure but they vary systematically through their symmetric/asymmetric feature and the length of the fluorocarbonated chains. The simulations allow to determine their tendency to nanosegregate, as well as their transport properties (viscosity, ionic conductivity, diffusion coefficients) and the amount of free water, providing useful data for potential applications in energy storage devices. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| DOI: | 10.1002/batt.202000237 |
| الاتاحة: | https://hal.sorbonne-universite.fr/hal-03103513 https://hal.sorbonne-universite.fr/hal-03103513v1/document https://hal.sorbonne-universite.fr/hal-03103513v1/file/Mendez%E2%80%90Morales%20et%20al.%20-%20Computational%20Screening%20of%20the%20Physical%20Properties.pdf https://doi.org/10.1002/batt.202000237 |
| Rights: | info:eu-repo/semantics/OpenAccess |
| رقم الانضمام: | edsbas.6F9D291D |
| قاعدة البيانات: | BASE |
| DOI: | 10.1002/batt.202000237 |
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