Local work function on graphene nanoribbons

• Daniel Rothhardt,
• Amina Kimouche,
• Tillmann Klamroth and
• Regina Hoffmann-Vogel

Beilstein J. Nanotechnol. 2024, 15, 1125–1131, doi:10.3762/bjnano.15.91

• layer on the tip, we expect that it adopts an image charge distribution that generates a similar electrostatic field as the charge located in the sample. The charge distribution in the sample in our own calculations is distributed over two atomic layers (Au–Au distance: 0.28 nm, see also Supporting

Self-assembly of C₆₀ on a ZnTPP/Fe(001)–p(1 × 1)O substrate: observation of a quasi-freestanding C₆₀ monolayer

• Guglielmo Albani,
• Michele Capra,
• Alessandro Lodesani,
• Alberto Calloni,
• Gianlorenzo Bussetti,
• Marco Finazzi,
• Franco Ciccacci,
• Alberto Brambilla,
• Lamberto Duò and
• Andrea Picone

Beilstein J. Nanotechnol. 2022, 13, 857–864, doi:10.3762/bjnano.13.76

• image charge underneath the metal surface, while, in the latter case, the screening is provided by electric dipoles induced on the organic substrate. In order to evaluate the coupling between C60 and the substrate, it is useful to quantify the reduction of the electronic gap E (or equivalently of the U

Controlling the electronic and physical coupling on dielectric thin films

• Philipp Hurdax,
• Michael Hollerer,
• Larissa Egger,
• Georg Koller,
• Xiaosheng Yang,
• Anja Haags,
• Serguei Soubatch,
• Frank Stefan Tautz,
• Mathias Richter,
• Alexander Gottwald,
• Peter Puschnig,
• Martin Sterrer and
• Michael G. Ramsey

Beilstein J. Nanotechnol. 2020, 11, 1492–1503, doi:10.3762/bjnano.11.132

• constant of the thin film, and dcs is the distance between the charge in the molecule and its image charge in the metal (i.e., the charge separation distance). In this report, we demonstrate the robustness of the conclusions drawn from the 5A study by considering para-sexiphenyl (6P, C36H26). In contrast

• concomitant strong decrease in this temperature range. This higher desorption temperature of the charged molecules relative to the neutral molecules can be expected due the electrostatic interaction of the charged molecule with its image charge. It may therefore seem surprising that the onset of the work

Absence of free carriers in silicon nanocrystals grown from phosphorus- and boron-doped silicon-rich oxide and oxynitride

• Daniel Hiller,
• Julian López-Vidrier,
• Keita Nomoto,
• Michael Wahl,
• Wolfgang Bock,
• Tomáš Chlouba,
• František Trojánek,
• Sebastian Gutsch,
• Margit Zacharias,
• Dirk König,
• Petr Malý and
• Michael Kopnarski

Beilstein J. Nanotechnol. 2018, 9, 1501–1511, doi:10.3762/bjnano.9.141

• dopant ionization energies increase, which decreases exponentially the free carrier density [1]. If a doped Si-nanovolume is embedded in a matrix of lower permittivity (e.g., a dielectric), the dopant charge is not fully screened in the silicon and a Coulomb interaction with its image charge in the

Inelastic electron tunneling spectroscopy of difurylethene-based photochromic single-molecule junctions

• Youngsang Kim,
• Safa G. Bahoosh,
• Dmytro Sysoiev,
• Thomas Huhn,
• Fabian Pauly and
• Elke Scheer

Beilstein J. Nanotechnol. 2017, 8, 2606–2614, doi:10.3762/bjnano.8.261

• –LUMO gaps of 1.3 and 2.8 eV in the closed and open forms, respectively. They are corrected to 5.2 and 6.7 eV, if we use the DeltaSCF method [38]. As visible also from Figure 2b, the gaps are reduced to 4.2 and 5.8 eV in the molecular junctions due to image charge effects by the DFT+Σ approach. The

Adsorption and electronic properties of pentacene on thin dielectric decoupling layers

• Sebastian Koslowski,
• Daniel Rosenblatt,
• Alexander Kabakchiev,
• Klaus Kuhnke,
• Klaus Kern and
• Uta Schlickum

Beilstein J. Nanotechnol. 2017, 8, 1388–1395, doi:10.3762/bjnano.8.140

• HOMO–LUMO gap of the molecule. To estimate the expected reduction of the gap, we propose and discuss a point-charge model. We assume a single charge (q1 = q2 = e) at a distance 2d from its image charge. The distance d between the charge (ion) and the metal surface (reflection plane) was estimated to be

The integration of graphene into microelectronic devices

• Guenther Ruhl,
• Sebastian Wittmann,
• Matthias Koenig and
• Daniel Neumaier

Beilstein J. Nanotechnol. 2017, 8, 1056–1064, doi:10.3762/bjnano.8.107

• to image-charge formation. SiO2 and h-BN shows hole doping in graphene in the range of 1012 to 1013 cm−2 [46][47], surface-functionalized SiO2 with HMDS shows a lower hole doping of approximately 1.25 × 1012 cm−2 [48]. Pre-treatment of the surface has a large influence on doping and therefore on the

Effects of spin–orbit coupling and many-body correlations in STM transport through copper phthalocyanine

• Benjamin Siegert,
• Andrea Donarini and
• Milena Grifoni

Beilstein J. Nanotechnol. 2015, 6, 2452–2462, doi:10.3762/bjnano.6.254

• following we briefly discuss the main steps to obtain the current through the molecule. The full system is described by the Hamiltonian where describes the isolated molecule, see Equation 1. To incorporate image charge effects in our model, leading to renormalizations of the energies of the system’s

• . Transport characteristics In this work, a tip–molecule distance of 5 Å was used and simulations were done at the temperature T = 1 K. We assumed a renormalization of the single particle energies δi = δ =1.83 eV (cf. Equation 3), an image-charge renormalization δic = 0.32 eV and a dielectric constant εr

Closed-loop conductance scanning tunneling spectroscopy: demonstrating the equivalence to the open-loop alternative

• Chris Hellenthal,
• Kai Sotthewes,
• Martin H. Siekman,
• E. Stefan Kooij and
• Harold J. W. Zandvliet

Beilstein J. Nanotechnol. 2015, 6, 1116–1124, doi:10.3762/bjnano.6.113

• tunneling barrier present in these experiments, such as the work function and the presence of an image charge, are determined quantitatively. This opens up the possibility of determining tunneling barriers of both vacuum and molecular systems in an alternative and more detailed manner. Keywords: image

• ) spectroscopy is presented. Using the proposed method enables one to decouple the contributions of the work function and the image charge to the effective potential barrier . Furthermore, there is no need for the elevated bias voltages associated with Gundlach oscillations and TVS measurements. Finally, the

• voltage between the tip and sample causes the barrier to lower in an asymmetrical fashion: Any charge travelling between the tip and the sample will induce an image charge of equal magnitude but opposite polarity. In addition to lowering the barrier, the presence of an image charge effect will also narrow

k-space imaging of the eigenmodes of sharp gold tapers for scanning near-field optical microscopy

• Martin Esmann,
• Simon F. Becker,
• Bernard B. da Cunha,
• Jens H. Brauer,
• Ralf Vogelgesang,
• Petra Groß and
• Christoph Lienau

Beilstein J. Nanotechnol. 2013, 4, 603–610, doi:10.3762/bjnano.4.67

• rotationally symmetric radiation pattern is expected for an ideally symmetric tip. Theoretically, it has been shown that the fields at the tip apex decay with a length slightly shorter than the apex radius [26][27][28]. Taking image charge effects into account [21][22], the decay in k-space closely resembles

Towards quantitative accuracy in first-principles transport calculations: The GW method applied to alkane/gold junctions

• Mikkel Strange and
• Kristian S. Thygesen

Beilstein J. Nanotechnol. 2011, 2, 746–754, doi:10.3762/bjnano.2.82

• agreement with experiments can be obtained after shifting the DFT molecular energy levels [13][14]. Such corrections are supposed to remove the self-interaction errors inherent in standard DFT exchange–correlation (xc) functionals [20][21][22] and account for image charge effects induced by the metal

• (QP) corrections to the DFT energies, resulting from the different shape and localization of the molecular orbitals. The QP corrections range from −0.5 to −2.5 eV and can be qualitatively explained from a classical image-charge model. Method The junction geometries were optimized by means of the real

• evaluated for the extended molecule (indicated by the box in Figure 1a). However, only the part corresponding to the molecule is used while the remaining part is replaced by the DFT xc-potential. This is done to include nonlocal correlation (image-charge) effects from the electrodes in the GW self-energy of

The role of the cantilever in Kelvin probe force microscopy measurements

• George Elias,
• Thilo Glatzel,
• Ernst Meyer,
• Alex Schwarzman,
• Amir Boag and
• Yossi Rosenwaks

Beilstein J. Nanotechnol. 2011, 2, 252–260, doi:10.3762/bjnano.2.29

• assumed to have a constant surface charge density. The ijth element of matrix G is given by where is the location of the image charge of the probe's jth element relative to an infinite earthed plane, so that if r' = (x', y', z') then = (x', y', –z'). The integral is performed over the jth surface