Input data supporting: Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands
datasetposted on 20.04.2016 by Thijs Vlugt, Zhaochuan Fan, M. (Marijn) Van Huis, L.C. (Li-Chiang) Lin, W.J. (Wim) Buijs
Datasets usually provide raw data for analysis. This raw data often comes in spreadsheet form, but can be any collection of data, on which analysis can be performed.
Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands, Z. Fan, L-C. Lin, W. Buijs, T.J.H. Vlugt, M.A. van Huis Nature Communications, doi:10.1038/ncomms11503 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