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1.
Front Chem ; 12: 1355350, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-38380395

RESUMEN

Energy dissipation and the transfer rate of adsorbed molecules do not only determine the rates of chemical reactions but are also a key factor that often dictates the growth of organic thin films. Here, we present a study of the surface dynamical motion of cobalt phthalocyanine (CoPc) on Ag(100) in reciprocal space based on the helium spin-echo technique in comparison with previous scanning tunnelling microscopy studies. It is found that the activation energy for lateral diffusion changes from 150 meV at 45-50 K to ≈100 meV at 250-350 K, and that the process goes from exclusively single jumps at low temperatures to predominantly long jumps at high temperatures. We thus illustrate that while the general diffusion mechanism remains similar, upon comparing the diffusion process over widely divergent time scales, indeed different jump distributions and a decrease of the effective diffusion barrier are found. Hence a precise molecular-level understanding of dynamical processes and thin film formation requires following the dynamics over the entire temperature scale relevant to the process. Furthermore, we determine the diffusion coefficient and the atomic-scale friction of CoPc and establish that the molecular motion on Ag(100) corresponds to a low friction scenario as a consequence of the additional molecular degrees of freedom.

2.
Artículo en Inglés | MEDLINE | ID: mdl-35537096

RESUMEN

We report an in situ study of the thin-film growth of cobalt-phthalocyanine on Ag(100) surfaces using photoelectron emission microscopy (PEEM) and the Anderson method. Based on the Fowler-DuBridge theory, we were able to correlate the evolution of the mean electron yield acquired with PEEM for coverages up to two molecular layers of cobalt-phthalocyanine to the global work function changes measured with the Anderson method. For coverages above two monolayers, the transients measured with the Anderson method and those obtained with PEEM show different trends. We exploit this discrepancy to determine the inelastic mean free path of the low-energy electrons while passing through the third layer of CoPc.

3.
Sci Rep ; 12(1): 3859, 2022 Mar 09.
Artículo en Inglés | MEDLINE | ID: mdl-35264635

RESUMEN

Investigations on electronic and geometric structures of platinum adsorbed on monocrystalline gold surfaces are important for understanding the remarkable catalytic properties of bimetallic Pt-Au systems. Herein, the morphology of quasi-hexagonal (hex) Au(100) surface after deposition of platinum for coverage up to 0.5 monolayer (ML) has been investigated by scanning tunneling microscopy (STM). For coverage range 0.2-0.4 ML the creation of elongated islands with mono-atomic height is observed. The islands consist of flat phase of disordered Pt-Au alloy which coexists with nanowire-like features with a hex atom arrangement and quantized width. Annealing the Pt/Au(100) system at 100-150 °C changes the surface morphology. The islands disappear and the topmost layer of the surface consists of flat phase of Pt-Au alloy which coexists with the hex-stripes. Small domains of ordered c(2 × 2) structure of Pt-Au alloy are found. The electronic properties of this structure have been investigated by ab-initio calculations. The obtained results allow to distinguish the Pt from Au atoms by their appearance in the STM images. The calculated electronic structures indicate a bonding creation between Pt and Au atoms and an electron d-states redistribution of Pt in comparison to the bare Pt(100)-(1 × 1) surface.

4.
Materials (Basel) ; 14(15)2021 Jul 27.
Artículo en Inglés | MEDLINE | ID: mdl-34361382

RESUMEN

This paper concerns research on magnesium oxide layers in terms of their potential use as a gate material for SiC MOSFET structures. The two basic systems of MgO/SiC(0001) and MgO/graphite/SiC(0001) were deeply investigated in situ under ultrahigh vacuum (UHV). In both cases, the MgO layers were obtained by a reactive evaporation method. Graphite layers terminating the SiC(0001) surface were formed by thermal annealing in UHV. The physicochemical properties of the deposited MgO layers and the systems formed with their participation were determined using X-ray and UV photoelectron spectroscopy (XPS, UPS). The results confirmed the formation of MgO compounds. Energy level diagrams were constructed for both systems. The valence band maximum of MgO layers was embedded deeper on the graphitized surface than on the SiC(0001).

5.
Molecules ; 26(8)2021 Apr 20.
Artículo en Inglés | MEDLINE | ID: mdl-33924122

RESUMEN

The surface of quasi-hexagonal reconstructed Au(100) is used as the template for monolayer pentacene (PEN) self-assembly. The system is characterized by means of scanning tunneling microscopy at room temperature and under an ultra-high vacuum. A new modulated pattern of molecules with long molecular axes (MA) arranged along hex stripes is found. The characteristic features of the hex reconstruction are preserved herein. The assembly with MA across the hex rows leads to an unmodulated structure, where the molecular layer does not recreate the buckled hex phase. The presence of the molecules partly lifts the reconstruction-i.e., the gold hex phase is transformed into a (1×1) phase. The arrangement of PEN on the gold (1×1) structure is the same as that of the surrounding molecular domain on the reconstructed surface. The apparent height difference between phases allows for the distinction of the state of the underlying gold surface.

6.
J Chem Phys ; 149(14): 144702, 2018 Oct 14.
Artículo en Inglés | MEDLINE | ID: mdl-30316254

RESUMEN

We have utilized scanning tunneling microscopy (STM) and low energy electron diffraction to determine the structural properties of two types of metal-phthalocyanines (MPcs), i.e., cobalt-phthalocyanine (CoPc) and hexadecafluorinated copper-phthalocyanine (F16CuPc) on the Ag(100) surface. For coverage close to one monolayer, both systems form long-range ordered structures with square unit cells. The size and rotation of the unit cell with respect to the silver lattice depend on the chemical composition of MPc. Both types of molecules prefer adsorption with around a 30° angle between the molecular axis and the [011] silver direction. The CoPcs mainly arrange in a (5 × 5)R0 phase; however, two additional local arrangements, a 26 × 26 R 1 1 ○ and a (7 × 7)R0, were detected by STM. The F16CuPcs form a 29 × 29 R 2 2 ○ structure. The co-adsorption of CoPc and F16CuPc on the Ag(100) surface in a 1:1 ratio leads to the formation of a compositionally ordered chessboard-like 5 2 × 5 2 R 4 5 ○ structure. During filled states imaging, the different appearance of the central part of each MPc allows us to distinguish CoPcs from F16CuPcs. Regardless of the applied voltage polarity, the ligands of F16CuPcs appear brighter than the ligands of CoPcs.

7.
J Am Chem Soc ; 137(47): 14920-9, 2015 Dec 02.
Artículo en Inglés | MEDLINE | ID: mdl-26584143

RESUMEN

We used time-lapsed scanning tunneling microscopy between 43 and 50 K and density functional theory (DFT) to explore the basic surface diffusion steps of cobalt phthalocyanine (CoPc) molecules on the Ag(100) surface. We show that the CoPc molecules translate and rotate on the surface in the same temperature range. Both processes are associated with similar activation energies; however, the translation is more frequently observed. Our DFT calculations provide the activation energies for the translation of the CoPc molecule between the nearest hollow sites and the rotation at both the hollow and the bridge sites. The activation energies are only consistent with the experimental findings, if the surface diffusion mechanism involves a combined translational and rotational molecular motion. Additionally, two channels of motion are identified: the first provides only a channel for translation, while the second provides a channel for both the translation and the rotation. The existence of the two channels explains a higher rate for the translation determined in experiment.

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