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Title: Design rules for liquid crystalline electrolytes for enabling dendrite-free lithium metal batteries

Abstract

Dendrite-free electrodeposition of lithium metal is necessary for the adoption of high energy-density rechargeable lithium metal batteries. Here, we demonstrate a mechanism of using a liquid crystalline electrolyte to suppress dendrite growth with a lithium metal anode. A nematic liquid crystalline electrolyte modifies the kinetics of electrodeposition by introducing additional overpotential due to its bulk-distortion and anchoring free energy. By extending the phase-field model, we simulate the morphological evolution of the metal anode and explore the role of bulk-distortion and anchoring strengths on the electrodeposition process. We find that adsorption energy of liquid crystalline molecules on a lithium surface can be a good descriptor for the anchoring energy and obtain it using first-principles density functional theory calculations. Unlike other extrinsic mechanisms, we find that liquid crystals with high anchoring strengths can ensure smooth electrodeposition of lithium metal, thus paving the way for practical applications in rechargeable batteries based on metal anodes.

Authors:
ORCiD logo; ORCiD logo; ORCiD logo
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1671829
Grant/Contract Number:  
AR0000774
Resource Type:
Published Article
Journal Name:
Proceedings of the National Academy of Sciences of the United States of America
Additional Journal Information:
Journal Name: Proceedings of the National Academy of Sciences of the United States of America; Journal ID: ISSN 0027-8424
Publisher:
Proceedings of the National Academy of Sciences
Country of Publication:
United States
Language:
English

Citation Formats

Ahmad, Zeeshan, Hong, Zijian, and Viswanathan, Venkatasubramanian. Design rules for liquid crystalline electrolytes for enabling dendrite-free lithium metal batteries. United States: N. p., 2020. Web. doi:10.1073/pnas.2008841117.
Ahmad, Zeeshan, Hong, Zijian, & Viswanathan, Venkatasubramanian. Design rules for liquid crystalline electrolytes for enabling dendrite-free lithium metal batteries. United States. doi:10.1073/pnas.2008841117.
Ahmad, Zeeshan, Hong, Zijian, and Viswanathan, Venkatasubramanian. Fri . "Design rules for liquid crystalline electrolytes for enabling dendrite-free lithium metal batteries". United States. doi:10.1073/pnas.2008841117.
@article{osti_1671829,
title = {Design rules for liquid crystalline electrolytes for enabling dendrite-free lithium metal batteries},
author = {Ahmad, Zeeshan and Hong, Zijian and Viswanathan, Venkatasubramanian},
abstractNote = {Dendrite-free electrodeposition of lithium metal is necessary for the adoption of high energy-density rechargeable lithium metal batteries. Here, we demonstrate a mechanism of using a liquid crystalline electrolyte to suppress dendrite growth with a lithium metal anode. A nematic liquid crystalline electrolyte modifies the kinetics of electrodeposition by introducing additional overpotential due to its bulk-distortion and anchoring free energy. By extending the phase-field model, we simulate the morphological evolution of the metal anode and explore the role of bulk-distortion and anchoring strengths on the electrodeposition process. We find that adsorption energy of liquid crystalline molecules on a lithium surface can be a good descriptor for the anchoring energy and obtain it using first-principles density functional theory calculations. Unlike other extrinsic mechanisms, we find that liquid crystals with high anchoring strengths can ensure smooth electrodeposition of lithium metal, thus paving the way for practical applications in rechargeable batteries based on metal anodes.},
doi = {10.1073/pnas.2008841117},
journal = {Proceedings of the National Academy of Sciences of the United States of America},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {10}
}

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