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We report on scanning tunneling microscopy (STM) topographs of individual metal phthalocyanines (MPc) on a thin salt (NaCl) film on a gold substrate, at tunneling energies within the molecule's electronic transport gap. Theoretical models…

Mesoscale and Nanoscale Physics · Physics 2023-10-24 Abhishek Grewal , Christopher C. Leon , Klaus Kuhnke , Klaus Kern , Olle Gunnarsson

The rates of a hindered molecular rotation induced by tunneling electrons are evaluated using scattering theory within the sudden approximation. Our approach explains the excitation of copper phthalocyanine molecules (CuPc) on Cu(111) as…

Materials Science · Physics 2013-12-30 J. Schaffert , M. C. Cottin , A. Sonntag , C. A. Bobisch , R. Moeller , J. -P. Gauyacq , N. Lorente

Scanning tunneling microscopy (STM) has been a fundamental tool to characterize many-body effects in condensed matter systems, from extended solids to quantum dots. STM of molecules decoupled from the supporting conductive substrate has the…

Mesoscale and Nanoscale Physics · Physics 2011-01-14 Dimitrios Toroz , Massimo Rontani , Stefano Corni

In scanning tunneling microscopy of molecules, an insulating buffer layer is often introduced to reduce interactions between adsorbed molecules and the substrate. Focusing on tunneling through the molecule's electronic transport gap, we…

Mesoscale and Nanoscale Physics · Physics 2024-08-02 Abhishek Grewal , Christopher C. Leon , Olle Gunnarsson

We present a fast and efficient tight-binding (TB) method for simulating scanning tunneling microscopy (STM) imaging of adsorbate molecules on ultrathin insulating films. Due to the electronic decoupling of the molecule from the metal…

Materials Science · Physics 2015-05-13 Antti Korventausta , Sami Paavilainen , Eeva Niemi , Jouko Nieminen

Scanning tunneling spectroscopy (STS) allows to image single molecules decoupled from the supporting substrate. The obtained images are routinely interpreted as the square moduli of molecular orbitals, dressed by the mean-field…

Mesoscale and Nanoscale Physics · Physics 2013-01-04 Dimitrios Toroz , Massimo Rontani , Stefano Corni

Scanning Tunneling Microscopy (STM) is a powerful technique that utilizes quantum tunneling to visualize atomic surfaces with high precision. This study presents detailed topographic maps and evaluates the local density of states (LDOS) for…

Mesoscale and Nanoscale Physics · Physics 2024-02-19 Dhananjay Saikumar

Scanning tunneling microscopy (STM) is a fundamental tool for determination of the surface atomic structure. However, the interpretation of high resolution microscopy images is not straightforward. In this paper we provide a physical…

Materials Science · Physics 2019-07-23 Ruslan Zhachuk , Jose Coutinho

We investigate the adsorption of a single tetracyanoethylene (TCNE) molecule on the silver (001) surface. Adsorption structures, electronic properties, and scanning tunneling microscopy (STM) images are calculated within density-functional…

Mesoscale and Nanoscale Physics · Physics 2016-06-22 Thorsten Deilmann , Peter Krüger , Michael Rohlfing , Daniel Wegner

For a molecular radical to be stable, the environment needs to be inert. Furthermore, an unpaired electron is less likely to react chemically, when it is placed in an extended orbital. Here, we use the tip of a scanning tunneling microscope…

Mesoscale and Nanoscale Physics · Physics 2020-12-22 Gael Reecht , Nils Krane , Christian Lotze , Katharina J. Franke

We present the growth morphology, the long range ordering, and the evolution of the valence band electronic states of ultra-thin films of copper phthalocyanine (CuPc) deposited on the Au(110)-(1x2) reconstructed surface, as a function of…

Materials Science · Physics 2009-11-10 F. Evangelista , A. Ruocco , V. Corradini , M. P. Donzello , C. Mariani , M. G. Betti

Understanding the fundamental mechanisms of optoelectronic excitation and relaxation pathways on the single-molecule level has only recently been started by combining scanning tunneling microscopy (STM) and spectroscopy (STS) with…

Well-ordered organic molecular layers on oxide surfaces are key for organic electronics. Using a combination of scanning tunneling microscopy (STM) and non-contact atomic force microscopy (nc-AFM) we probe the structures of copper…

We investigate the adsorption of cobalt phthalocyanine (CoPc) molecules on a thin layer of cobalt oxide grown on Ir(100). To that end we compare the results of low-temperature scanning tunneling microscopy (STM) with those of ab-initio…

Mesoscale and Nanoscale Physics · Physics 2018-10-24 Tobias Schmitt , Pascal Ferstl , Lutz Hammer , M. Alexander Schneider , Josef Redinger

A scanning tunneling microscope (STM) has been equipped with a nanoscale force sensor and signal transducer composed of a single D2 molecule that is confined in the STM junction. The uncalibrated sensor is used to obtain ultra-high…

Mesoscale and Nanoscale Physics · Physics 2024-01-30 C. Weiss , C. Wagner , C. Kleimann , M. Rohlfing , F. S. Tautz , R. Temirov

Scanning probe microscopy (SPM) images of regularly arranged spatially periodic objects can be processed crystallographically. The resulting information may be used to remove from the SPM image distortions that are due to a less than…

Materials Science · Physics 2020-12-16 Peter Moeck

Metalated phthalocyanines (Pc's) are robust and versatile molecular complexes, whose properties can be tuned by changing their functional groups and central metal atom. The electronic structure of magnesium Pc (MgPc) - structurally and…

The band dispersion of the two highest occupied molecular orbital (HOMO)-derived bands in thin crystalline Pentacene films grown on Bi(001) was determined by photoemission spectroscopy. Compared to first-principles calculations our data…

Materials Science · Physics 2009-10-12 Richard C. Hatch , David L. Huber , Hartmut Hoechst

The physical properties of ultrathin NaCl overlayers on the stepped Cu(311) surface have been characterized using scanning tunneling microscopy (STM) and spectroscopy, and density functional calculations. Simulations of STM images and…

Materials Science · Physics 2009-11-10 F. E. Olsson , M. Persson , J. Repp , G. Meyer

We report on the effect of sp3 hybridized carbon atoms in acene derivatives adsorbed on metal surfaces, namely decoupling the molecules from the supporting substrates. In particular, we have used a Ag(100) substrate and hydrogenated…

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