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Home > Research Teams > Molecular Nanoscience Group > Publications > 2013
2013
Peer-reviewed Publications |
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Labidi, H., Sonnet, P., & Riedel, D. (2013). Electronic Control of the Tip-Induced Hopping of an Hexaphenyl-Benzene Molecule Physisorbed on a Bare Si(100) Surface at 9 K. JOURNAL OF PHYSICAL CHEMISTRY C, 117(26), 13663–13675.
Résumé: In this work, we show that the hopping directivity of individual hexaphenyl-benzene (HPB) molecules physisorbed along the SA step edge of a bare Si(100)-2×1 surface can be reversibly controlled with a periodic hopping length. This is achieved by using the tunnel electrons of a low temperature (9 K) scanning tunneling microscope (STM). A statistical analysis of the electronic excitations applied at various positions on the HPB molecule reveals that the hopping process is related to a strong decrease of the tunnel junction conductance. This process is associated with a charge transfer from the silicon surface to the HPB molecule leading to a hopping mechanism that occurs in two sequential steps. The first step of the hopping process involves the formation of an HPB− anion that triggers the molecular motion into a metastable state. The second step is related to the neutralization of the HPB− anion which provokes the manipulation of the molecule to its final steady position. Our experimental data are supported by the calculations of the relaxed molecule using the density functional theory on the Si(100) surface that takes the van der Waals forces interactions into account. Additional calculations of the HPB− anion orbitals depict the spatial localization of the extra charge inside the HPB molecule and the relative energies of the HPB− molecular orbitals. Finally, our study shows that the hopping direction can be optimized by positioning the STM tip at specific locations along the hopping pathway.
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Raseev, G. (2013). Plasmon resonances of Ag(001) and Ag(111) studied by power density absorption and photoyield. Surf. Sci., 615, 6–20.
Résumé: This paper models the surface and bulk plasmon resonances in photoabsorption and photoelectron spectra (PES) of the Ag(001) and the Ag(111) surfaces in the region of 2.8-10 eV excited with a p or transverse magnetic linearly polarized laser incident at 45 degrees. Using the recently developed vector potential from electron density-coupled integro-differential equations (VPED-CIDE, [1,2]) model, we calculate the electron escaping probability from the power density absorption, Feibelman's parameter d(perpendicular to), the reflectance and the Fermi PE cross section. In the PES experiment the work function is lowered from 45 to 2.8 eV by adsorption of sodium. In our model, this lowering is introduced by adding a phenomenological term to the DFT-LDA model potential of Chulkov et al. [3]. For both Ag(001) and Ag(111), the calculated observables display two plasmon resonances, the multipole surface at 3.70 eV and the bulk at 3.90 eV, in fair agreement with the experimental PES of Barman et al. [4,5] and the reflectance. Except for the Fermi PE cross section of Ag(001) which does not display the multipole surface plasmon resonance at 3.70 eV. This poor result is probably due to a poor calculation of the conduction band wave functions obtained from the Schrodinger equation using the modified DFT-LDA model potential of Chulkov et at (C) 2013 Elsevier B.V. All rights reserved.
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