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Scalable models of ion transport for electrolyte materials discovery

Savoie, Brett M. and Miller, Thomas F. (2016) Scalable models of ion transport for electrolyte materials discovery. In: 251st American Chemical Society National Meeting & Exposition, March 13-17, 2016, San Diego, CA.

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Solid polymeric electrolytes have the potential to greatly improve battery efficiency and stability, but ions like Li simply diffuse too slowly in current materials for them to be viable. The challenge for computationally designing new polymers lies in accurately modeling both the long- timescale of ion transport and the chem. specific ion- polymer couplings that govern ion motion. In this talk, I will show how short atomistic simulations can be combined with a generalizable mesoscopic ion transport model to reliably predict ion diffusivity across many chem. classes of polymers. This model has now been used to characterize several hundred new materials and the talk will cover results for several new classes of polymer electrolytes exhibiting high Li diffusivity and interesting new mechanistic ion transport features.

Item Type:Conference or Workshop Item (Paper)
Related URLs:
URLURL TypeDescription Website
Savoie, Brett M.0000-0002-7039-4039
Miller, Thomas F.0000-0002-1882-5380
Additional Information:© 2016 American Chemical Society.
Record Number:CaltechAUTHORS:20160414-091231254
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:66157
Deposited By: Tony Diaz
Deposited On:14 Apr 2016 16:20
Last Modified:03 Oct 2019 09:54

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