Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands

oleh: Zhaochuan Fan, Li-Chiang Lin, Wim Buijs, Thijs J. H. Vlugt, Marijn A. van Huis

Format: Article
Diterbitkan: Nature Portfolio 2016-05-01

Deskripsi

Cation exchange is a promising technique to modify ionic nanostructures by replacing the existing cations with those provided by the solution. Here, the authors use molecular dynamics to study cation exchange in PbS nanocrystals by combining solvent and ligand effects into a pseudoligand parameter.