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• W2085322523 abstract "Electronic structure in self-assembled monolayers (SAMs) of C60 anchored 11-amino–1-undecane thiol (C60-11-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 σ(S–Au), localized at the thiolate anchor to Au. Formation of a localized covalent bond as a result of hybridization between N Pz orbital of –NH2 group of the thiolate SAM and the π level of C60 resulted in a symmetry change from Ih in C60 to C1 in C60-11-AUT SAM. Appearance of low, but finite amplitude surface electronic states of bonded C60, much beyond the Fermi level, ruled out Au–C60 end group contact. The band gap Eg of the SAM, determined to be 2.7 eV, was drastically reduced from the insulating alkanethiol SAMs (∼8.0 eV) and fell intermediate between the C60 ground state (N electrons, 1.6 eV) and C60 solid (N±1 electrons, 3.7 eV)." @default.
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• W2085322523 date "2004-03-16" @default.
• W2085322523 modified "2023-10-17" @default.
• W2085322523 title "Surface/interface electronic structure in C60 anchored aminothiolate self-assembled monolayer: An approach to molecular electronics" @default.
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• W2085322523 doi "https://doi.org/10.1063/1.1651062" @default.
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