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Download fileInput data supporting: Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands
dataset
posted on 20.04.2016, 00:00 by Thijs VlugtThijs Vlugt, Zhaochuan Fan, M. (Marijn) Van Huis, L.C. (Li-Chiang) Lin, W.J. (Wim) BuijsAtomistic 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