Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5363022 | Applied Surface Science | 2010 | 5 Pages |
Abstract
The adsorption of fluorescein on the Ag(1Â 1Â 0) surface has been investigated by the first-principles pseudopotential method. Various adsorption geometries have been calculated and the energetically most favorable structure of fluorescein/Ag(1Â 1Â 0) was identified. The fluorescein molecule, in most favorable structure, is on hollow site, and the adsorption energy is 2.34Â eV. Here the adsorption sites refer to the positions at the first layer of the substrate where the middle carbon atom of the fluorescein molecule is located. The bonding strength of the fluorescein molecule to the Ag substrate is site selective, being determined by electron transfer to the oxygen atoms of the molecule and local electrostatic attraction between the oxygen atoms and the silver atoms.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
H.Q. Qian, H.Y. Mao, F. Song, S.Q. Shi, H.J. Zhang, H.Y. Li, P.M. He, S.N. Bao,