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Structural and Dynamic Insights into the Conduction of Lithium-Ionic-Liquid Mixtures in Nanoporous Metal–Organic Frameworks as Solid-State Electrolytes by Micaela Vazquez; Modan Liu; Zejun Zhang; Abhinav Chandresh; Anemar Bruno Kanj; Wolfgang Wenzel; Lars Heinke is a Engineering article available to read on EtoBox.
What is Structural and Dynamic Insights into the Conduction of Lithium-Ionic-Liquid Mixtures in Nanoporous Metal–Organic Frameworks as Solid-State Electrolytes about?
Metal-organic framework (MOF)-based separators in Li-ion batteries (LIBs) have the potential to improve the battery performance. The mobility and conduction of lithium and organic ionic liquids (ILs) in these materials acting as (quasi) solid-state electrolytes are crucial for the battery power output. Here, we investigate the mobility of a Li-based IL in MOF nanopores and unveil the details of the conduction mechanism by molecular dynamics (MD) simulations. A complex conductivity depending on the Li-IL loading and on the IL composition is observed. Most importantly, the presence of Li prevents the collapse of the conductivity at high IL loadings. The fully atomistic MD simulations including guest-guest and guest-host interactions elucidate the competing mechanisms: Li follows a Grotthuss-like conduction mechanism with large mobility. While at small pore fillings, the Li conduction is limited by the large distance between the anions facilitating the Grotthuss-like conduction; the conduction at high pore fillings is governed by field-induced concentration inhomogeneities. Because of the small MOF pore windows, which hinders the simultaneous passage of the large IL cations and anions
Who reads Structural and Dynamic Insights into the Conduction of Lithium-Ionic-Liquid Mixtures in Nanoporous Metal–Organic Frameworks as Solid-State Electrolytes?
It is typically read by researchers, students, and practitioners in Engineering.
- Author
- Micaela Vazquez; Modan Liu; Zejun Zhang; Abhinav Chandresh; Anemar Bruno Kanj; Wolfgang Wenzel; Lars Heinke
- Publisher
- American Chemical Society (ACS)
- Published
- 2021
- Language
- EN
- Field
- Engineering (Physical Sciences)