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Kinetic Monte Carlo simulation of electrodeposition of polycrystalline Cu
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Liu, Jun, Liu, C. Q. and Conway, P. P. (2009) Kinetic Monte Carlo simulation of electrodeposition of polycrystalline Cu. Electrochemistry Communications, Volume 11 (Number 11). pp. 2207-2211. doi:10.1016/j.elecom.2009.09.032 ISSN 1388-2481.
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Official URL: http://dx.doi.org/10.1016/j.elecom.2009.09.032
Abstract
A two-dimensional cross-sectional poly-lattice kinetic Monte Carlo (2DCSP-KMC) model has been developed for simulation of the electrodeposition of polycrystalline copper on a copper and gold substrate. The mis-orientation and higher energetic state of grain boundaries are taken into account by introducing a ‘strange’ coordination number and a correction coefficient while determining the diffusion rate. The evolution of the microstructure, the average grain size, the variance of grain size and the distribution of grain-boundary mis-orientation of the deposit are also considered in simulations. The model has proven capable of capturing some key aspects of nucleation and growth mechanism including the nucleation type (e.g. homogeneous or heterogeneous), texture development, the growth of grains and higher energetic state of grain boundaries. The simulated microstructure qualitatively agrees with our experimental observation on the copper deposition on gold.
Item Type: | Journal Article | ||||
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Divisions: | Faculty of Science, Engineering and Medicine > Engineering > WMG (Formerly the Warwick Manufacturing Group) | ||||
Journal or Publication Title: | Electrochemistry Communications | ||||
Publisher: | Elsevier Inc. | ||||
ISSN: | 1388-2481 | ||||
Official Date: | November 2009 | ||||
Dates: |
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Volume: | Volume 11 | ||||
Number: | Number 11 | ||||
Page Range: | pp. 2207-2211 | ||||
DOI: | 10.1016/j.elecom.2009.09.032 | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access |
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