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Predictive modeling and design rules for solid electrolytes

Published online by Cambridge University Press:  10 October 2018

Gerbrand Ceder ,
Shyue Ping Ong  and
Yan Wang
Gerbrand Ceder
Affiliation:
University of California, Berkeley, USA; [email protected]
Shyue Ping Ong
Affiliation:
University of California, San Diego, USA; [email protected]
Yan Wang
Affiliation:
Advanced Materials Lab, Samsung Research America, USA; [email protected]
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Abstract

All-solid-state batteries utilizing a ceramic instead of an organic liquid as an electrolyte have the potential to be safer and more energy dense than traditional rechargeable lithium-ion batteries. This emergent energy-storage technology, however, is still critically limited by the performance of the solid electrolyte and its interface with electrodes. Here, we present a review of recent efforts in predictive modeling and materials design for lithium and sodium solid electrolytes using advanced computational approaches. These approaches have enabled the efficient design and discovery of new functional materials with desired properties, such as high alkali ionic conductivity, good phase and electrochemical stability, and low cost, accelerating the development of all-solid-state alkali batteries.

Keywords

energy storageionic conductorsimulation
Type
Frontiers of Solid-State Batteries
Information
MRS Bulletin , Volume 43 , Issue 10: Frontiers of Solid-State Batteries , October 2018 , pp. 746 - 751
Copyright
Copyright © Materials Research Society 2018 

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