AI Article Synopsis
Article Abstract
Ethylene carbonate (EC) and propylene carbonate (PC) are widely used solvents in lithium (Li)-ion batteries and supercapacitors. Ion dissolution and diffusion in those media are correlated with solvent dielectric responses. Here, we use all-atom molecular dynamics simulations of the pure solvents to calculate dielectric constants and relaxation times, and molecular mobilities. The computed results are compared with limited available experiments to assist more exhaustive studies of these important characteristics. The observed agreement is encouraging and provides guidance for further validation of force-field simulation models for EC and PC solvents.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1021/acs.jpcb.5b09561 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Complicated pollution characteristics (particulate matter, heavy metals, microplastics, VOCs) of spent lithium-ion battery recycling at an industrial level.
Sci Total Environ
January 2025
School of Environmental Science and Engineering, Shanghai Jiao Tong University, 200240, China.
The recycling of spent lithium-ion batteries has become a common concern of the whole society, with a large number of studies on recycling management and recycling technology, but there is relatively little study on the pollution release during the recycling process. Pollution will restrict the healthy development of the recycling industry, which makes relevant research very significant. This paper monitored and analyzed the battery recycling pretreatment process in a formal factory, and studied the pollution characteristics of particulate matter, heavy metals, and microplastics under different treatment stages.
View Article and Find Full Text PDFStudy of Interfacial Reaction Mechanism of Silicon Anodes with Different Surfaces by Using the In Situ Spectroscopy Technique.
ACS Appl Mater Interfaces
January 2025
Research Center of Nano Science and Technology, College of Sciences, Shanghai University, Shanghai 200444, China.
The interfacial reaction of a silicon anode is very complex, which is closely related with the electrolyte components and surface elements' chemical status of the Si anode. It is crucial to elucidate the formation mechanism of the solid electrolyte interphase (SEI) on the silicon anode, which promotes the development of a stable SEI. However, the interface reaction mechanism on the silicon surface is closely related to the surface components.
View Article and Find Full Text PDFA computational study of the ternary mixtures of NaPF-EC and choline glycine ionic liquid.
Phys Chem Chem Phys
January 2025
Institute of Science and Technology, Federal University of São Paulo, 12247-014, São José dos Campos, São Paulo, Brazil.
This study investigates the structural and dynamic properties of ternary mixtures composed of NaPF, ethylene carbonate (EC), and the ionic liquid choline glycine (ChGly), with a focus on their potential as electrolytes for supercapacitors. The combination of NaPF-EC, known for its high ionic conductivity, with the biodegradable and environmentally friendly ChGly offers a promising approach to enhancing electrolyte performance. Through molecular simulations, we analyze how the inclusion of small concentrations of ChGly affects key properties such as density, cohesive energy, and ion mobility.
View Article and Find Full Text PDFUltrafast Lithium-Ion Transport Engineered by Nanoconfinement Effect.
Adv Mater
January 2025
School of Materials Science and Engineering, Beihang University, Beijing, 100191, China.
Article Synopsis
- The study highlights the impressive lithium ionic conductivity achieved using graphene oxide laminar membranes, which significantly exceeds that of traditional lithium-ion electrolytes.
- At 170 mS cm, the nanoconfined lithium electrolyte demonstrates extraordinary performance, maintaining useful conductivity even at extremely low temperatures.
- The findings suggest that the enhanced ion transport is due to unique layer distribution effects in the nanochannels, potentially revolutionizing energy storage technologies by integrating these channels into lithium battery components.
A Flexible Yet Robust 3D-Hybrid Gel Solid-State Electrolyte Based on Metal-Organic Frameworks for Rechargeable Lithium Metal Batteries.
Gels
December 2024
School of Chemistry and Materials Science, Guangdong University of Education, Guangzhou 510303, China.
Compared to traditional liquid electrolytes, solid electrolytes have received widespread attention due to their higher safety. In this work, a vinyl functionalized metal-organic framework porous material (MIL-101(Cr)-NH-Met, noted as MCN-M) is synthesized by postsynthetic modification. A novel three-dimensional hybrid gel composite solid electrolyte (GCSE-P/MCN-M) is successfully prepared via in situ gel reaction of a mixture containing multifunctional hybrid crosslinker (MCN-M), lithium bis(trifluoromethanesulfonyl)imide (LiTFSI), ethylene carbonate (EC), diethylene glycol monomethyl ether methacrylate (EGM) and polyethylene (vinylidene fluoridee) (PVDF).
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!