Annealing kinetics of electrodeposited lithium dendrites

作者:Aryanfar Asghar*; Cheng Tao; Colussi Agustin J; Merinov Boris V; Goddard William A III; Hoffmann Michael R
来源:Journal of Chemical Physics, 2015, 143(13): 134701.
DOI:10.1063/1.4930014

摘要

The densifying kinetics of lithium dendrites is characterized with effective activation energy of E-a approximate to 6 - 7 kcal mol(-1) in our experiments and molecular dynamics computations. We show that heating lithium dendrites for 55 degrees C reduces the representative dendrites length (lambda) over bar (T, t) up to 36%. NVT reactive force field simulations on three-dimensional glass phase dendrites produced by our coarse grained Monte Carlo method reveal that for any given initial dendrite morphology, there is a unique stable atomic arrangement for a certain range of temperature, combined with rapid morphological transition (similar to 10 ps) within quasi-stable states involving concurrent bulk and surface diffusions. Our results are useful for predicting the inherent structural characteristics of lithium dendrites such as dominant coordination number.

  • 出版日期2015-10-7