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

Published online by Cambridge University Press:  10 August 2015

Asghar Aryanfar,
Tao Cheng,
Boris V. Merinov,
William A. Goddard III,
Agustin J Colussi and
Michael R. Hoffmann
Asghar Aryanfar*
Affiliation:
Linde Center for Global Environmental Science,
Tao Cheng
Affiliation:
Materials and Process Simulation Center, California Institute of Technology, 1200 E California Blvd, Pasadena, CA, 91125.
Boris V. Merinov
Affiliation:
Materials and Process Simulation Center, California Institute of Technology, 1200 E California Blvd, Pasadena, CA, 91125.
William A. Goddard III
Affiliation:
Materials and Process Simulation Center, California Institute of Technology, 1200 E California Blvd, Pasadena, CA, 91125.
Agustin J Colussi
Affiliation:
Linde Center for Global Environmental Science,
Michael R. Hoffmann
Affiliation:
Linde Center for Global Environmental Science,
*
* Corresponding Author: aryanfar@caltech.edu, Tel: +1 (626) 395-8736, Fax: +1 (626) 395-8535
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Abstract

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 Ea∼ 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’.

Keywords

Liamorphousannealing

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