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Modeling and Simulation of Concentrated Aqueous Solutions of LiTFSI for Battery Applications

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We propose a new non-polarizable molecular mechanics force field for concentrated aqueous solutions of lithium bistriflylimide (LiTFSI), a promising candidate for battery applications. The model de... Click to show full abstract

We propose a new non-polarizable molecular mechanics force field for concentrated aqueous solutions of lithium bistriflylimide (LiTFSI), a promising candidate for battery applications. The model de...

Keywords: modeling simulation; aqueous solutions; battery applications; simulation concentrated; concentrated aqueous

Journal Title: Journal of Physical Chemistry C
Year Published: 2020

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