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Lithium Dendrite Inhibition on Post-Charge Anode Surface: The Kinetics Role

Aryanfar, Asghar and Cheng, Tao and Merinov, Boris V. and Goddard, William A., III and Colussi, Agustín J. and Hoffmann, Michael R. (2015) Lithium Dendrite Inhibition on Post-Charge Anode Surface: The Kinetics Role. In: Mechanics of Energy Storage and Conversion―Batteries, Thermoelectrics and Fuel Cells. MRS Proceedings. No.1774. Materials Research Society , Pittsburgh, PA, pp. 31-39.

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We report experiments and molecular dynamics calculations on the kinetics of electrodeposited lithium dendrites relaxation as a function of temperature and time. We found that the experimental average length of dendrite population decays via stretched exponential functions of time toward limiting values that depend inversely on temperature. The experimental activation energy derived from initial rates as E_a~ 6-7 kcal/mole, which is closely matched by MD calculations, based on the ReaxFF force field for metallic lithium. Simulations reveal that relaxation proceeds in several steps via increasingly larger activation barriers. Incomplete relaxation at lower temperatures is therefore interpreted a manifestation of cooperative atomic motions into discrete topologies that frustrate monotonic progress by ‘caging’.

Item Type:Book Section
Related URLs:
URLURL TypeDescription
Aryanfar, Asghar0000-0002-8890-077X
Cheng, Tao0000-0003-4830-177X
Merinov, Boris V.0000-0002-2783-4262
Goddard, William A., III0000-0003-0097-5716
Colussi, Agustín J.0000-0002-3400-4101
Hoffmann, Michael R.0000-0001-6495-1946
Additional Information:© 2015 Materials Research Society. Authors gratefully acknowledge support from Bill and Melinda Gates Foundation Grant No. OPP1069500 on environmental sustainability and, in part, by Bosch Energy Research Network Grant No. 13.01.CC11.
Funding AgencyGrant Number
Bill and Melinda Gates FoundationOPP1069500
Bosch Energy Research Network13.01.CC11
Subject Keywords:Lithium Dendrites, Kinetics, Activation Energy, Annealing
Series Name:MRS Proceedings
Issue or Number:1774
Record Number:CaltechAUTHORS:20151016-151554765
Persistent URL:
Official Citation:Asghar Aryanfar, Tao Cheng, Boris V. Merinov, William A. Goddard, III, Agustin J Colussi and Michael R. Hoffmann (2015). Lithium Dendrite Inhibition on Post-Charge Anode Surface: The Kinetics Role. MRS Proceedings, 1774, pp 31-39. doi:10.1557/opl.2015.745
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:61225
Deposited By: Tony Diaz
Deposited On:16 Oct 2015 22:31
Last Modified:03 Mar 2020 13:01

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