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Title: Configuration-dependent interface charge transfer at a molecule-metal junction
Authors: Wang, L. 
Liu, L. 
Chen, W. 
Feng, Y. 
Wee, A.T.S. 
Issue Date: 21-Jun-2006
Citation: Wang, L., Liu, L., Chen, W., Feng, Y., Wee, A.T.S. (2006-06-21). Configuration-dependent interface charge transfer at a molecule-metal junction. Journal of the American Chemical Society 128 (24) : 8003-8007. ScholarBank@NUS Repository.
Abstract: The role of the molecule-metal interface is a key issue in molecular electronics. Interface charge transfer processes for 4-fluorobenzenethiol monolayers with different molecular orientations on Au(111) were studied by resonant photoemission spectroscopy. The electrons excited into the LUMO or LUMO+1 are strongly localized for the molecules standing up on Au(111). In contrast, an ultrafast charge transfer process was observed for the molecules lying down on Au(111). This configuration-dependent ultrafast electron transfer is dominated by an adiabatic mechanism and directly reflects the delocalization of the molecular orbitals for molecules lying down on Au(111). Theoretical calculations confirm that the molecular orbitals indeed experience a localization-delocalization transition resulting from hybridization between the molecular orbitals and metal surface. Such an orientation-dependent transition could be harnessed in molecular devices that switch via charge transfer when the molecular orientation is made to change. © 2006 American Chemical Society.
Source Title: Journal of the American Chemical Society
ISSN: 00027863
DOI: 10.1021/ja061741o
Appears in Collections:Staff Publications

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