Preprint / Version 1

Population balance modeling of InP formation in an automated synthesis platform

##article.authors##

  • Zhuang Wang University of Duisburg-Essen
  • Nabi E. TraorĂ©
  • tobias schikarski
  • lisa stiegler
  • dominik drobek
  • benjamin apeleo.zubiri
  • erdmann spiecker
  • wolfgang peukert
  • johannes walter
  • lukas pflug
  • doris segets

DOI:

https://doi.org/10.31224/2902

Keywords:

InP, Automated synthesis, population balance equation, simulation

Abstract

Despite great progress in the synthetic chemistry of InP QDs, a predictive model to describe their temporal formation is still missing. In this work, we introduce a population balance model incorporating liquid phase reactions, homogeneous nucleation and reaction-limited growth of InP supported with the highly reproducible and reliable experimental data acquired from an automated robotic synthesis platform. A comparison between experimental kinetic data (different initial concentrations and temperatures) and simulations was made. The proposed model describes the temporal evolution of solid concentration, particle diameter and particle size distribution very well. The quantitative agreement between experiments and simulations was only achieved by global optimization to identify unknown and hardly measurable material parameters and kinetic constants such as surface energy, growth rate constants or activation energies. We see this model rendering the first step towards the development of more refined models that enable rigorous optimization and control of the production process for III-V semiconductors.

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Posted

2023-03-23