Study on the adsorption of fluorescein on Ag(1 1 0) substrate |
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| Authors: | H.Q. Qian H.Y. Mao S.Q. Shi H.Y. Li S.N. Bao |
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| Affiliation: | a Department of Physics, Zhejiang University, Hangzhou 310027, China
b Department of Physics, Center for Optoelectronics Materials and Devices, Zhejiang Sci-Tech University, Xiasha College Park, Hangzhou, Zhejiang 310018, China |
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| Abstract: | The adsorption of fluorescein on the Ag(1 1 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(1 1 0) was identified. The fluorescein molecule, in most favorable structure, is on hollow site, and the adsorption energy is 2.34 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. |
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| Keywords: | 71.15.Mb 68.43.&minus h 73.20.At |
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