Development of polymer electrolytes for solid state batteries

Guerrero Mejía, Luis Miguel (author), Marinšek, Marjan (mentor)

To understand the structure and dynamics in polymer electrolytes based on polymerized ionic liquids (PILs), molecular dynamics modeling is performed because these materials have shown great potential in the development of future solid-state alkali metal batteries, including Lithium, Sodium, and Potassium metals. These polymers have cationic polymer backbones and are used as solid solvents for salts. Unconventionally, the metal ion diffusion and polymer segmental motion will increase upon adding more salt, due to a co-coordination structure mechanism between polycations, anions, and metal ions. Interestingly, the formation of salt-rich domains was found in PILs with high salt concentrations, which can further improve metal ion diffusion.

• Language: English
• Keywords: Molecular dynamics, polymerized ionic liquids, metal-ion batteries, ion diffusion, and coordination environment
• Work type: Master's thesis/paper
• Organization: FKKT - Faculty of Chemistry and Chemical Technology
• Year: 2022
• PID: 20.500.12556/RUL-141244
• Publication date in RUL: 26.09.2022

Secondary language

• Language: Slovenian
• Title: Development of polymer electrolytes for solid state batteries

Abstract

Da bi razumeli strukturo in dinamiko polimernih elektrolitov na osnovi polimeriziranih ionskih tekočin (PIL), se izvaja modeliranje molekularne dinamike, ker so ti materiali pokazali velik potencial pri razvoju prihodnjih polprevodniških alkalijskih baterij, vključno z litijevimi, natrijevimi in kalijevimi kovinami. . Ti polimeri imajo kationske polimerne hrbtenice in se uporabljajo kot trdna topila za soli. Nekonvencionalno se bosta difuzija kovinskih ionov in segmentno gibanje polimera povečala z dodajanjem več soli zaradi mehanizma kokoordinacijske strukture med polikationi, anioni in kovinskimi ioni. Zanimivo je, da so v PIL-jih z visokimi koncentracijami soli ugotovili nastanek domen, bogatih s soljo, kar lahko dodatno izboljša difuzijo kovinskih ionov.

• Keywords: Molekularna dinamika, polimerizirane ionske tekočine, kovinsko-ionske baterije, ionska difuzija in koordinacijsko okolje