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Surface/interface electronic structure in C-60 anchored aminothiolate self-assembled monolayer: An approach to molecular electronics

Patnaik , A. and Setoyama , H. and Ueno , N. (2004) Surface/interface electronic structure in C-60 anchored aminothiolate self-assembled monolayer: An approach to molecular electronics. JOURNAL OF CHEMICAL PHYSICS, 120 (13). pp. 6214-6221. ISSN 0021-9606

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Abstract

Electronic structure in self-assembled monolayers (SAMs) of C-60 anchored 11-amino-1-undecane thiol (C-60-11-AUT) on Au(111) was studied by means of ultraviolet photoelectron spectroscopy and hybrid density functional theory calculations. Valence band features of the molecular conformation revealed the interface electronic structure to be dominated by sigma(S-Au), localized at the thiolate anchor to Au. Formation of a localized covalent bond as a result of hybridization between N P-z orbital of -NH2 group of the thiolate SAM and the pi level of C-60 resulted in a symmetry change from I-h in C-60 to C1 in C-60-11-AUT SAM. Appearance of low, but finite amplitude surface electronic states of bonded C-60, much beyond the Fermi level, ruled out Au-C-60 end group contact. The band gap E-g of the SAM, determined to be 2.7 eV, was drastically reduced from the insulating alkanethiol SAMs (similar to8.0 eV) and fell intermediate between the C-60 ground state (N electrons, 1.6 eV) and C-60 solid (N+/-1 electrons, 3.7 eV). (C) 2004 American Institute of Physics.

Item Type:Article
Subjects:Physical Science > Nanophysics
Physical Science > Nano objects
Material Science > Nanochemistry
Material Science > Nanostructured materials
Divisions:Faculty of Engineering, Science and Mathematics > School of Physics
Faculty of Engineering, Science and Mathematics > School of Chemistry
ID Code:7119
Deposited By:JNCASR
Deposited On:09 Sep 2009 06:16
Last Modified:09 Sep 2009 06:16

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