Atomistic kinetic Monte Carlo simulations of polycrystalline copper electrodeposition

被引：7
|
作者：
Treeratanaphitak, Tanyakarn [1 ]
Pritzker, Mark D. [1 ]
Abukhdeir, Nasser Mohieddin [1 ,2 ]
机构：
[1] Univ Waterloo, Dept Chem Engn, Waterloo, ON N2L 3G1, Canada
[2] Univ Waterloo, Waterloo Inst Nanotechnol, Waterloo, ON N2L 3G1, Canada
来源：
ELECTROCHEMISTRY COMMUNICATIONS | 2014年 / 46卷
基金：
加拿大自然科学与工程研究理事会;
关键词：
Electrodeposition; Simulation; Kinetic Monte Carlo; Embedded-atom method; Polycrystalline; EMBEDDED-ATOM METHOD; SURFACE GROWTH; THIN-FILMS; DEPOSITION; EVOLUTION; METALS; DIMENSIONS; ROUGHNESS; ENERGY; CU;
D O I：
10.1016/j.elecom.2014.07.001
中图分类号：
O646 [电化学、电解、磁化学];
学科分类号：
081704 ;
摘要：
A high-fidelity kinetic Monte Carlo (KMC) simulation method (T. Treeratanaphitak, M. Pritzker, N.M. Abukhdeir, Electrochim. Acta 121 (2014) 407-414) using the semi-empirical multi-body embedded-atom method (EAM) potential has been extended to model polycrystalline metal electrodeposition. Simulations using KMC-EAM are performed over a range of overpotentials to predict the effect on deposit texture evolution. Roughness-time power law behaviour (proportional to t(beta)) is observed where beta = 0.62 +/- 0.12, which is in good agreement with past experimental results. Furthermore, the simulations provide insights into the dynamics of sub-surface deposit morphology which are not directly accessible from experimental measurements. (C) 2014 Elsevier B.V. All rights reserved.
引用
收藏
页码：140 / 143
页数：4
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