Surface dipole induced by alkanethiolate adsorbated on Au(111)

Author

Shih, Yu-Ching ; Chao, Sheng D. ; Kan, Heng-Chuan ; Wu, Kuang-Chong

Author_Institution

Nat. Center for High-Performance Comput., Nat. Appl. Res. Labs., Hsinchu

fYear

2008

fDate

6-9 Jan. 2008

Firstpage

187

Lastpage

191

Abstract

The surface dipoles induced by alkanethiolates adsorbated on Au(lll) surface are studied by means of the state-of-the-art first-principles calculations. Two models of Alkanethiolate and Au adatom-alkanethiolate moieties on Au(lll) surface are adapted in this work. Charge transfer from gold surface to alkanethiolate cause electrostatic dipoles on the gold surface. It was found that a net charge transfer of 0.09e ~0.15e from gold surface to alkanethiolate molecules. Most of the transferred charge is accumulated in the carbon atom which is nearest to the sulfur atom.

Keywords

charge exchange; electrostatic devices; gold; Au; alkanethiolate adsorbate; alkanethiolate moieties; alkanethiolate molecules; charge transfer; electrostatic dipoles; net charge transfer; surface dipoles; Atomic force microscopy; Atomic layer deposition; Biosensors; Bridges; Charge transfer; Gold; Lattices; Stress; Superlattices; Systems engineering and theory; Mulliken population analysis; alkanethiolate; charge transfer; density functiion theory; self-assembled monolayer;

fLanguage

English

Publisher

ieee

Conference_Titel

Nano/Micro Engineered and Molecular Systems, 2008. NEMS 2008. 3rd IEEE International Conference on

Conference_Location

Sanya

Print_ISBN

978-1-4244-1907-4

Electronic_ISBN

978-1-4244-1908-1

Type

conf

DOI

10.1109/NEMS.2008.4484315

Filename

4484315