Journal of Nanoparticle Research

, Volume 13, Issue 6, pp 2451–2459

Coarse-grained kinetic scheme-based simulation framework for solution growth of ZnO nanowires

  • Farah Alvi
  • Rakesh K. Joshi
  • Qiang Huang
  • Ashok Kumar
Research Paper

DOI: 10.1007/s11051-010-0137-6

Cite this article as:
Alvi, F., Joshi, R.K., Huang, Q. et al. J Nanopart Res (2011) 13: 2451. doi:10.1007/s11051-010-0137-6
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Abstract

Kinetic Monte Carlo (KMC)-based stochastic model is used to understand the growth of zinc oxide nanowires from aqueous solution containing chemical precursors and capping agent. Through a hydrothermal growth mechanism, the average diameter of zinc oxide wires obtained is around 300 nm, whereas the length is order of several micrometers. Our Monte Carlo algorithm is based on the continuous-time Monte Carlo algorithm of Bortz, Kalos and Lebowitz (BKL) methodology. Both reactions and diffusion mechanisms assigning stochastic probabilities have been simulated. In algorithm, the ZnO atoms were treated as individual particles which diffuse in solution substrate and interact with other type of atoms. Once attached with growing nanowires, the diffusion rate of ZnO atom is considerably reduced. Since in a KMC algorithm each atom can be represented individually therefore, internal noise is automatically incorporated.

Keywords

Hydrothermal methodZinc oxide nanowiresKinetic Monte Carlo algorithmSuper-saturationSynthesisModeling and simulation

Copyright information

© Springer Science+Business Media B.V. 2010

Authors and Affiliations

  • Farah Alvi
    • 1
  • Rakesh K. Joshi
    • 2
  • Qiang Huang
    • 3
  • Ashok Kumar
    • 2
  1. 1.Department of Electrical EngineeringUniversity of South FloridaTampaUSA
  2. 2.Department of Mechanical EngineeringUniversity of South FloridaTampaUSA
  3. 3.Daniel J. Epstein Department of Industrial and Systems EngineeringUniversity of Southern CaliforniaLos AngelesUSA