Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5417778 | Journal of Molecular Structure: THEOCHEM | 2007 | 5 Pages |
Abstract
The nature of the interaction of water or ammonia and other base molecules with (ZnS)n clusters with n = 9-60 has been studied by density functional theory. These studies have shown that the most stable structure is the adsorptive molecule towards zinc atom as Lewis acid-base complexes. The strength of interaction between ZnS cluster and adsorptive molecules increases in the order of anionic > non-ionic, which explains the experimental results well. The advantage of using cluster model to describe the interactions between adsorptive molecule and ZnS nanomaterials will provide helpful information to understand experimental phenomena.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
TingTing Huang, Kai Tan, MengHai Lin,