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INTEGRATION OF COMPUTATIONAL AND EXPERIMENTAL METHODS FOR THE DEVELOPMENT OF DEEP EUTECTIC ELECTROLYTES FOR HIGH-PERFORMANCE BATTERIES

Grant number: 24/22938-5
Support Opportunities:Scholarships abroad - Research
Start date: August 25, 2025
End date: August 24, 2026
Field of knowledge:Physical Sciences and Mathematics - Physics - Condensed Matter Physics
Principal Investigator:Eudes Eterno Fileti
Grantee:Eudes Eterno Fileti
Host Investigator: Joao Manuel da Costa e Araujo Pereira Coutinho
Host Institution: Instituto de Ciência e Tecnologia (ICT). Universidade Federal de São Paulo (UNIFESP). Campus São José dos Campos. São José dos Campos , SP, Brazil
Institution abroad: Universidade de Aveiro (UA), Portugal  

Abstract

This project explores deep eutectic electrolytes (DEEs) and water-based eutectic electrolytes for electrochemical energy storage devices, such as batteries and supercapacitors. Using molecular dynamics simulations and experimental techniques, the goal is to enhance the understanding of these electrolytes' structural, energetic, and dynamic properties, improving their performance, stability, and safety. The research focuses on two specific subjects: 1) eutectic electrolytes with zinc chloride and water, for which we will investigating water-containing DESs as stable and cost-effective electrolytes for zinc-based energy systems. The aim is understanding how these electrolytes can help to optimizing ionic transport and reduce parasitic reactions, enhancing efficiency and durability. 2) sodium-based deep eutectic electrolytes, for which we will study sodium-ion based DEEs, focusing on Na···N interactions in imidazole-based solvents with NaFSI salts. The project will use simulations and experimental techniques like Raman and NMR spectroscopy to evaluate the impact on electrochemical stability and ionic conductivity.The integration of computational and experimental methods will provide a richer understanding of the systems, strengthening the project's outcomes and offering potential for future research and collaborations. (AU)

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