Input data supporting: Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands

  • T.J.H. Vlugt (Creator)
  • Zhaochuan Fan (Creator)
  • Marijn van Huis (Creator)
  • Li-Chiang Lin (Creator)
  • W.J. (Wim) Buijs (Creator)



Sample input files for a MD simulation of 4.7-nm PbS NC in psuedoligands at 550K.
Simulations were performed using the LAMMPS code (version 01Nov13).
LAMMPS can de downloaded from:
Date made available2016
PublisherTU Delft - 4TU.ResearchData
Date of data production2016

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