화학공학소재연구정보센터
Chemical Physics Letters, Vol.467, No.4-6, 365-368, 2009
Theoretical prediction of ring structures for ZnS quantum dots
The lowest energy structure of ZnS quantum dots of different sizes have been determined by using a search based on genetic algorithm (GA) coupled with the density-functional tight-binding method (DFTB). The GA search converges to a rather new ring-like configurations of ZnS quantum dots. These ring-like clusters have higher HOMO-LUMO gap values compared to other known structures (such as hollow, zinc-blende and wurtzite) of ZnS QDs. (C) 2008 Elsevier B.V. All rights reserved.