The thiol group can be attached to gold surfaces strongly and thus can be used as a bridge for molecular wires in nanoelectronics. By using density functional theory, we have investigated the interaction between a thiol-phenyl molecule (4-4′-dimercaptodibenzene) and a gold surface with ab initio method. The frontier orbit theory and the perturbation theory are employed to determine constant of the interaction energy quantitatively, which is a parameter in describing the current-voltage properties of molecul...
| 
推荐 
点击下列相关研究机构和相关文献作者，可以直接查到这些机构和作者被《中国知识资源总库》收录的其它文献，使您全面了解该机构和该作者的研究动态和历史。
