Molecular orientation of C60 on Pt(111) determined by X-ray photoelectron diffraction

Orientation ofC60molecules in the(33×33)R30Fanetti1, Gavioli2, Cepek3 et al. 2008Phys. Rev. B5040View full textAdd to dashboardCite

“…34͒ and C 60 / Pt͑111͒. 35,36 In the latter, a ͑ ͱ 13ϫ ͱ 13͒R14°molecular superlattice is observed as well as in the present system ͑but with a moleculemolecule distance of 1.0 nm͒ and the orientation of the molecule with a hexagon facing up is also observed. In all of these systems, the bond between the molecule and the substrate is considered to be covalent.…”

“…Actually, considering the strong interaction with the substrate and the large distance between the molecules, one should expect the molecules to be azimuthally aligned with the substrate, according to the symmetry of the adsorption site, as it happens, for example, in the C 60 / Pt͑111͒-͑ ͱ 13ϫ ͱ 13͒R14°monolayer, where molecules are 1.0 nm apart. 35,36 ͑2͒ In the observed arrangement, neighbor molecules face each other, conjugating region poor of charge ͑hexagon-hexagon bonds͒ with region rich of charge ͑pentagons͒. This arrangement, in principle, is the one which minimizes the interaction potential.…”

Vacancy formation on C60/Pt (111): unraveling the complex atomistic mechanism

“…In this way, we have identified the two lowest energy configurations which will be referred to as dimer30 and hex0. They correspond to (i) the molecule sitting on a 6 : 6 dimer bridging between two Pt-hexagons at 30°with respect to the [1][2][3][4][5][6][7][8][9][10] surface direction for dimer30, and to (ii) the fullerene oriented on a carbon hexagon on top of a Pt hexagon on the surface for hex0 (see figure 6). These two configurations have been recalculated with VASP and they provide the basis for the rest of our theoretical study.…”

First-principles study on the reconstruction induced by the adsorption of C60 on Pt(111)

“…1,5 The molecular orientation and the interfacial structures of C60/Pt(111) have been widely studied by low-energy electron diffraction (LEED), high resolution electron energy loss spectroscopy (HREELS), surface X-ray diffraction (XRD), UV photoelectron spectroscopy (UPS), and low-temperature scanning tunneling microscopy (STM). 1,[6][7][8][9][10][11][12][13] It was found that the C60 molecules bind covalently to the Pt(111) surface. Furthermore, an ordered O13 Â O13R13.91 or 2O3 Â 2O3R301 reconstruction has been observed by creating a surface vacancy lattice due to the chemical interactions between one monolayer of C60 molecules and a clean Pt(111) surface.…”

“…Furthermore, an ordered O13 Â O13R13.91 or 2O3 Â 2O3R301 reconstruction has been observed by creating a surface vacancy lattice due to the chemical interactions between one monolayer of C60 molecules and a clean Pt(111) surface. 1,[10][11][12][13] In the reconstructed structure, C60 molecules are located on top of the surface vacancies, forming covalent bonds between the 6 platinum surface atoms around the vacancies and the carbon atoms. 1,[10][11][12][13] Vacancy formation in Pt has been studied both experimentally and theoretically.…”