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- W2074313257 abstract "The electronic structure of thiophene adsorbed on Au(111) has been investigated by two-photon photoemission (2PPE) spectroscopy and density functional theory (DFT) calculations. The dominant interfacial feature observed in the 2PPE spectra is a nondispersive unoccupied state whose width and energy (referenced to the Fermi level) decrease with increasing coverage. We assign this feature to a thiophene LUMO-derived state of mixed sulfur and carbon p−π character. DFT calculations indicate that the experimentally observed decrease in width of this state with increasing coverage is a result of weakening of the thiophene−Au(111) interaction. Increasing the molecular density forces the thiophene plane to tilt away from the surface, rotating the molecular orbitals away from an orientation more favorable for S−Au and π−Au hybridization. We attribute the ∼0.2 eV shift of the LUMO toward the Fermi level to stabilization of the transient anion due to the increasing effect of charge-induced polarization of the neighboring thiophene molecules with increasing coverage." @default.
- W2074313257 created "2016-06-24" @default.
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- W2074313257 date "2010-07-22" @default.
- W2074313257 modified "2023-09-27" @default.
- W2074313257 title "Electronic Structure of the Thiophene/Au(111) Interface Probed by Two-Photon Photoemission" @default.
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- W2074313257 doi "https://doi.org/10.1021/jp1025009" @default.
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