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Molecular dynamics simulation of formation and growth of CdS nanoparticles

Shayeganfar, F ; Sharif University of Technology

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  1. Type of Document: Article
  2. DOI: 10.1080/08927022.2013.811723
  3. Abstract:
  4. Monodispersed semiconducting nanoparticles are usually synthesised in a liquid medium using injection of an appropriate solution. A key factor in attaining a narrow particle size distribution (PSD) is the temporal separation of the nucleation and growth stages, where the former takes place during the injection. Faster injection produces a larger number of nuclei and a narrower PSD. The injection speed is expected to affect the diffusion of the ions in the solution and to create uniformly high supersaturation for a short period of time. In this paper, we study the growth of CdS nanoparticles during the injection by molecular dynamics simulation. A solution of Cd ions is injected into the simulation cell that contains sulphure ions; the variation of the PSD and its mean and variance are studied as functions of the injection velocity. Higher injection velocities produce narrower PSDs and smaller particles, hence providing a precise method for controlling both
  5. Keywords:
  6. CdS nanoparticle ; Molecular simulation ; Semiconducting particles ; CdS nanoparticles ; Injection speed ; Injection velocity ; Molecular dynamics simulations ; Molecular simulations ; Nucleation and growth ; Semi-conducting nanoparticles ; Temporal separation ; Cadmium compounds ; Cadmium sulfide ; Ions ; Molecular dynamics ; Particle size analysis ; Nanoparticles
  7. Source: Molecular Simulation ; Vol. 40, issue. 5 , Jul , 2014 , p. 361-369 ; ISSN: 08927022
  8. URL: http://www-tandfonline-com/doi/abs/10.1080/08927022.2013.811723#.VePt0n25JIE