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. Buijs (Creator)

Dataset

Description

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: http://lammps.sandia.gov
Date made available2016
PublisherTU Delft - 4TU Centre for research data
Date of data production2016

Cite this

Vlugt, T. J. H. (. (Creator), Fan, Z. (Creator), van Huis, M. (Creator), Lin, L. (Creator), Buijs, W. J. (. (Creator) (2016). Input data supporting: Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands. TU Delft - 4TU Centre for research data. 10.4121/UUID:7100A209-2407-42EA-B6E0-DCA5E821FC8D