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Systematic computational and experimental investigation of lithium-ion transport mechanisms in polymer electrolytes

Webb, Michael A. and Savoie, Brett M. and Balsara, Nitash P. and Coates, Geoffrey W. and Wang, Zhen-Gang and Miller, Thomas F. (2016) Systematic computational and experimental investigation of lithium-ion transport mechanisms in polymer electrolytes. In: 251st American Chemical Society National Meeting & Exposition, March 13-17, 2016, San Diego, CA.

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Solid polymer electrolytes have been the subject of considerable fundamental and applied chem. research due to their potential application in battery technologies. Although polymer electrolytes based on poly(ethylene oxide) have been extensively characterized both exptl. and theor., little is known about ion transport in other polymer classes. In this talk, we will describe an interdisciplinary collaboration that combines chem. synthesis, electrochem. characterization, and mol. dynamics and coarse- grained simulation to systematically investigate lithium- ion transport in a range of new polymer electrolytes. The resulting anal. reveals a no. of surprising and transferable chem. insights, including that the obsd. lithium- ion diffusion mechanisms are governed principally by the connectivity of solvation sites rather than by polymer segmental mobility. The mechanistic insights obtained in this effort have significance for the screening, synthesis, and characterization of nextgeneration polymer electrolytes.

Item Type:Conference or Workshop Item (Paper)
Related URLs:
URLURL TypeDescription Website
Webb, Michael A.0000-0002-7420-4474
Savoie, Brett M.0000-0002-7039-4039
Balsara, Nitash P.0000-0002-0106-5565
Coates, Geoffrey W.0000-0002-3400-2552
Wang, Zhen-Gang0000-0002-3361-6114
Miller, Thomas F.0000-0002-1882-5380
Additional Information:© 2016 American Chemical Society.
Record Number:CaltechAUTHORS:20160331-090441966
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:65792
Deposited By: Tony Diaz
Deposited On:31 Mar 2016 20:04
Last Modified:03 Oct 2019 09:50

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