Molecular dynamics modeling of the influence forming process parameters on the structure and morphology of a superconducting spin valve

• Alexander Vakhrushev,
• Aleksey Fedotov,
• Vladimir Boian,
• Roman Morari and
• Anatolie Sidorenko

Beilstein J. Nanotechnol. 2020, 11, 1776–1788, doi:10.3762/bjnano.11.160

• composition layers under high vacuum and stationary temperature conditions. The structure and thickness of the formed nanolayers and the distribution of elements at their interfaces were studied. The alternating layers of the formed nanosystem and their interfaces are shown to have significantly different

Absorption and photoconductivity spectra of amorphous multilayer structures

• Oxana Iaseniuc and
• Mihail Iovu

Beilstein J. Nanotechnol. 2020, 11, 1757–1763, doi:10.3762/bjnano.11.158

• absorption depending on the nature and the thickness of each amorphous layer, on the wavelength, and on contact phenomena at the interfaces between different layers and between the amorphous layers and the metal electrodes with different work functions. Keywords: amorphous multilayer structures

• applied voltage. When a positive voltage is applied to the illuminated Al electrode, the maximum is shifted toward the region of higher energies of the spectrum. As was mentioned in [8], this behavior can be associated with contact phenomena at the interfaces between metallic electrode and amorphous

• polarity for all investigated amorphous thin-film structures. This result can be explained by drift processes of non-equilibrium carriers in amorphous semiconductors as well as by the contact phenomena between interfaces of different amorphous materials and the metallic electrodes. Transmission spectra T

The influence of an interfacial hBN layer on the fluorescence of an organic molecule

• Christine Brülke,
• Oliver Bauer and
• Moritz M. Sokolowski

Beilstein J. Nanotechnol. 2020, 11, 1663–1684, doi:10.3762/bjnano.11.149

• ]. Specifically, the use of 2DMs in layered heterostructures has been promoted [2][3]. Here, one challenge lies in the understanding of not only the processes in the individual materials, but also of those that occur at the interfaces between layers of different materials. Advantageously, some 2DMs can be grown

• energy transfer [6]. Here, CT is in our focus since energy transfer, although additionally present, varies less abruptly on the scale of single layers [7]. A simple energy diagram of the CT process of a fluorescent molecule across interfaces is depicted in Figure 1. As an example, we use the sample

PTCDA adsorption on CaF₂ thin films

• Philipp Rahe

Beilstein J. Nanotechnol. 2020, 11, 1615–1622, doi:10.3762/bjnano.11.144

• ); scanning tunnelling microscopy; Introduction The study of molecular adsorption on thin insulating films is motivated by the possibility to investigate and utilise molecular properties in their largely undisturbed state [1]. Molecule–thin film insulator interfaces are additionally of central importance in

Detecting stable adsorbates of (1S)-camphor on Cu(111) with Bayesian optimization

• Jari Järvi,
• Patrick Rinke and
• Milica Todorović

Beilstein J. Nanotechnol. 2020, 11, 1577–1589, doi:10.3762/bjnano.11.140

• Jari Jarvi Patrick Rinke Milica Todorovic Department of Applied Physics, Aalto University, P.O. Box 11100, 00076 Aalto, Espoo, Finland 10.3762/bjnano.11.140 Abstract Identifying the atomic structure of organic–inorganic interfaces is challenging with current research tools. Interpreting the

• monolayer formation and hybrid interfaces. In the following sections, we first introduce our computational methods for adsorbate structure identification with BOSS, the first-principles calculations, and their application on detecting the stable adsorbates of camphor on Cu(111). We then present our results

Adsorption and self-assembly of porphyrins on ultrathin CoO films on Ir(100)

• Feifei Xiang,
• Tobias Schmitt,
• Marco Raschmann and
• M. Alexander Schneider

Beilstein J. Nanotechnol. 2020, 11, 1516–1524, doi:10.3762/bjnano.11.134

• with respect to functionalization and corresponding potential applications, porphyrins represent a fascinating class of molecules the properties of which at inorganic interfaces still have to be fully understood [1]. The investigation of adsorption properties and structures using surface science

Self-assembly and spectroscopic fingerprints of photoactive pyrenyl tectons on hBN/Cu(111)

• Domenik M. Zimmermann,
• Knud Seufert,
• Luka Ðorđević,
• Tobias Hoh,
• Sushobhan Joshi,
• Tomas Marangoni,
• Davide Bonifazi and
• Willi Auwärter

Beilstein J. Nanotechnol. 2020, 11, 1470–1483, doi:10.3762/bjnano.11.130

• ; Introduction Atomic-level control of molecular materials at interfaces is crucial to fully exploit the materials’ potential in electronic, optoelectronic, spintronic, and sensing applications [1][2]. Specifically, the effects of adsorption, conformation, and supramolecular organization on the resulting

• electronic and optical properties of molecular tectons and the respective assemblies must be comprehensively characterized [3][4][5][6]. Diverse self-assembly protocols have been extensively explored on metal substrates, and organic–metal interfaces have been analyzed in great detail [7][8]. In many cases

Impact of fluorination on interface energetics and growth of pentacene on Ag(111)

• Qi Wang,
• Meng-Ting Chen,
• Antoni Franco-Cañellas,
• Bin Shen,
• Thomas Geiger,
• Holger F. Bettinger,
• Frank Schreiber,
• Ingo Salzmann,
• Alexander Gerlach and
• Steffen Duhm

Beilstein J. Nanotechnol. 2020, 11, 1361–1370, doi:10.3762/bjnano.11.120

• . Keywords: decoupling; fluorination; metal–organic interfaces; organic pi-conjugated molecules; X-ray standing wave technique; Introduction The performance of organic (opto)electronic devices is strongly affected by the energy level alignment at the various interfaces in such devices [1][2][3

• ]. Fluorination is a viable way to change the ionization energies (IEs) of organic semiconductor thin films [4][5][6], which are an important parameter for energy level alignment [7][8]. Moreover, at organic–metal interfaces, fluorination is believed to decrease the coupling strength between the substrate and the

• adsorbate [9][10][11]. However, at such interfaces, vertical adsorption heights [12][13], interface dipoles (vacuum level shifts) [9][14] and consequently the energy level alignment [15][16][17] are affected by fluorination. Furthermore, fluorination can change the molecular multilayer growth [18][19][20

Controlling the proximity effect in a Co/Nb multilayer: the properties of electronic transport

• Sergey Bakurskiy,
• Mikhail Kupriyanov,
• Nikolay V. Klenov,
• Igor Soloviev,
• Andrey Schegolev,
• Roman Morari,
• Yury Khaydukov and
• Anatoli S. Sidorenko

Beilstein J. Nanotechnol. 2020, 11, 1336–1345, doi:10.3762/bjnano.11.118

• Usadel equations [22], using the Kupriyanov–Lukichev boundary conditions [23][24], at the S/F interfaces. Here, Gp,q and Φp,q are normal and anomalous Green’s functions, respectively, and ω = πT(2n + 1) is the Matsubara frequency. In addition, where H is the exchange energy in the F-layer, p and q are

Effect of localized helium ion irradiation on the performance of synthetic monolayer MoS₂ field-effect transistors

• Jakub Jadwiszczak,
• Pierce Maguire,
• Conor P. Cullen,
• Georg S. Duesberg and
• Hongzhou Zhang

Beilstein J. Nanotechnol. 2020, 11, 1329–1335, doi:10.3762/bjnano.11.117

• this paper, we investigate the effect of the defect population on the performance of MoS2 FETs via varying the area of ion irradiation in the FET channel. We also examine the performance of devices upon irradiation of one of the electrical contact interfaces. Experimental Monolayer MoS2 samples were

• in each pair a single electrode interface was also irradiated. SEM images in Figure 3a show the irradiated channel areas colored in green and the non-irradiated MoS2 channel areas in red, on example devices in the high IR regime. In all three IR regimes, allowing one of the electrode–MoS2 interfaces

Role of redox-active axial ligands of metal porphyrins adsorbed at solid–liquid interfaces in a liquid-STM setup

• Thomas Habets,
• Sylvia Speller and
• Johannes A. A. W. Elemans

Beilstein J. Nanotechnol. 2020, 11, 1264–1271, doi:10.3762/bjnano.11.110

• , Albert-Einstein-Straße 25, 18059 Rostock, Germany 10.3762/bjnano.11.110 Abstract In a liquid-STM setup environment, the redox behavior of manganese porphyrins was studied at various solid–liquid interfaces. In the presence of a solution of Mn(III)Cl porphyrins in 1-phenyloctane, which was placed at a

• and 2.03, respectively. A different dielectric constant may lead to a different potential decay at the interfaces, which in turn may influence the reaction rates. However, since the difference in dielectric constant between the two solvents is small, we propose the first explanation as being more

Proximity effect in [Nb(1.5 nm)/Fe(x)]₁₀/Nb(50 nm) superconductor/ferromagnet heterostructures

• Yury Khaydukov,
• Sabine Pütter,
• Laura Guasco,
• Roman Morari,
• Gideok Kim,
• Thomas Keller,
• Anatolie Sidorenko and
• Bernhard Keimer

Beilstein J. Nanotechnol. 2020, 11, 1254–1263, doi:10.3762/bjnano.11.109

• phenomena are π–Josephson junctions [4][5][6][7] with a π-phase difference of superconducting correlations between two neighboring interfaces, long-range triplet superconductivity [8][9][10][11][12][13][14][15][16] generated in S/F systems with a non-collinear (NC) magnetic configuration of the F system

• , respectively. Reflectometry data analysis To study the quality of layers and interfaces in a layered structure reflectometry techniques (X-ray or neutron) can be used. Using these methods, a reflectivity curve R(Q) is measured as a function of momentum transfer Q = 4πsin(θ)/λ. In the kinematical approximation

• to know the resistivity of all layers in z direction as well as the interfaces resistances. This will require additional experiments on simpler systems and/or with current applied normal to the surface. However, the following arguments allow us to say that the value of λ is comparable to the

Hybridization vs decoupling: influence of an h-BN interlayer on the physical properties of a lander-type molecule on Ni(111)

• Maximilian Schaal,
• Takumi Aihara,
• Marco Gruenewald,
• Felix Otto,
• Jari Domke,
• Roman Forker,
• Hiroyuki Yoshida and
• Torsten Fritz

Beilstein J. Nanotechnol. 2020, 11, 1168–1177, doi:10.3762/bjnano.11.101

• n-type contact for future molecular electronic devices. Keywords: buried interface; decoupling; hexagonal boron nitride; hybridization; tetraphenyldibenzoperiflanthene (DBP); two-dimensional materials; Introduction The interfaces between organic molecules and metal contacts play a crucial role in

Three-dimensional solvation structure of ethanol on carbonate minerals

• Hagen Söngen,
• Ygor Morais Jaques,
• Peter Spijker,
• Christoph Marutschke,
• Stefanie Klassen,
• Ilka Hermes,
• Ralf Bechstein,
• Lidija Zivanovic,
• John Tracey,
• Adam S. Foster and
• Angelika Kühnle

Beilstein J. Nanotechnol. 2020, 11, 891–898, doi:10.3762/bjnano.11.74

• surfaces interact with a large variety of organic molecules, which can result in surface restructuring. This process is decisive for the formation of biominerals. With the development of 3D atomic force microscopy (AFM) it is now possible to image solid–liquid interfaces with unprecedented molecular

• -resolution 3D atomic force microscopy (AFM) [1], the hydration structure of many interfaces has been studied, including the aqueous interface of mica [2] calcite [3][4] dolomite [5][6] and organic crystals [7]. However, while the majority of 3D AFM works have concentrated on water, comparatively fewer

• distance is in good agreement with the above-cited previous calculations of ethanol interfaces. Moreover, observing no order in the upper layers fits well to the MD simulations from previous theoretical studies, which do not indicate significant lateral order in the layers above the first layer for the

A Josephson junction based on a highly disordered superconductor/low-resistivity normal metal bilayer

• Pavel M. Marychev and
• Denis Yu. Vodolazov

Beilstein J. Nanotechnol. 2020, 11, 858–865, doi:10.3762/bjnano.11.71

• equation, Here, js is the superconducting current density, which is determined by the following expression: where ρ is the residual resistivity of the corresponding layer. At the SN-interface we use a boundary condition similar to Equation 4, and for the interfaces with the vacuum we use dϕ/dn = 0. At the

Hexagonal boron nitride: a review of the emerging material platform for single-photon sources and the spin–photon interface

• Stefania Castelletto,
• Faraz A. Inam,
• Shin-ichiro Sato and
• Alberto Boretti

Beilstein J. Nanotechnol. 2020, 11, 740–769, doi:10.3762/bjnano.11.61

• spin–photon interfaces for remote spin–photon entanglement with available nuclear spins as ancilla qubits for quantum memory [11][12]. These include the nitrogen-vacancy (NV) center in diamond [13], the silicon-vacancy center in diamond [14][15][16], the germanium-vacancy center in diamond [17], the

Quantitative determination of the interaction potential between two surfaces using frequency-modulated atomic force microscopy

• Nicholas Chan,
• Carrie Lin,
• Tevis Jacobs,
• Robert W. Carpick and
• Philip Egberts

Beilstein J. Nanotechnol. 2020, 11, 729–739, doi:10.3762/bjnano.11.60

• even in atomistic simulations of solid interfaces, does not accurately capture the interactions between silicon and diamond surfaces. More specifically, if we observe the mismatch in the repulsive force component, assuming that the attractive force component follows a z−3 dependency, we see that the LJ

Effect of substitutional defects on resonant tunneling diodes based on armchair graphene and boron nitride nanoribbons lateral heterojunctions

• Majid Sanaeepur

Beilstein J. Nanotechnol. 2020, 11, 688–694, doi:10.3762/bjnano.11.56

• performance of RTDs based on Gr/hBN heterojunctions [26][27][28][29][30][31][32][33]. Formation energy calculations have revealed that point defects occur preferentially at the interfaces of graphene and hBN domains rather than in the middle of these domains, and that substitutional defects are dominant [30

• considers the interfaces of the Gr/hBN regions are parallel to the transport direction so that there are no bandgap variations in the transport direction. Since the electron transport is in zigzag direction, spin-polarized transport calculations are utilized. Instead, in the study presented here, the

• the interfaces of RTD based on AGNR/ABNNR heterojunctions. Carbon, boron and nitrogen atoms are depicted in grey, red and yellow, respectively. Effect of substitutional defects on the energy bandstructure of 19-AGNR and 19-ABNNR. Carbon, boron and nitrogen atoms are depicted in grey, red and yellow

Observation of unexpected uniaxial magnetic anisotropy in La_2/3Sr_1/3MnO₃ films by a BaTiO₃ overlayer in an artificial multiferroic bilayer

• John E. Ordóñez,
• Lorena Marín,
• Luis A. Rodríguez,
• Pedro A. Algarabel,
• José A. Pardo,
• Roger Guzmán,
• Luis Morellón,
• César Magén,
• Etienne Snoeck,
• María E. Gómez and
• Manuel R. Ibarra

Beilstein J. Nanotechnol. 2020, 11, 651–661, doi:10.3762/bjnano.11.51

• HAADF-STEM image for a BTO/LSMO bilayer grown on STO substrate, where we can identify both BTO/LSMO and LSMO/STO interfaces. The insets correspond to high-magnification HAADF-STEM images to highlight the flat atomic sharp interfaces. By means of GPA method on the HAADF images, it is possible to display

• strain maps reflect homogeneous and dislocation-free STO and LSMO layers, and a BTO layer with several linear defects, most of which are concentrated close to the BTO/LSMO interfaces. Misfit dislocation-free epitaxial growth of LSMO films under (001)-oriented STO substrates is expected and widely

• a quantitative strain analysis, profiles of εxx and εzz extracted from the GPA maps are plotted in Figure 5d and Figure 5e. These profiles are traced perpendicular to the interfaces, along two zones: Through a horizontal misfit dislocation (Profile 1) and through a dislocation-free region (Profile 2

Interfacial charge transfer processes in 2D and 3D semiconducting hybrid perovskites: azobenzene as photoswitchable ligand

• Nicole Fillafer,
• Tobias Seewald,
• Lukas Schmidt-Mende and
• Sebastian Polarz

Beilstein J. Nanotechnol. 2020, 11, 466–479, doi:10.3762/bjnano.11.38

• of studies on semiconductor particles ligands or capping agents are used that bind to the surface of the particles covering them with an electrically insulating shell. Since the transport of charge carriers and/or energy across interfaces is desirable for a variety of applications, the use of π

• -conjugated ligands becomes increasingly interesting. Among them are compounds that react to external stimuli. Molecular switches in particular are fascinating because the properties of the interfaces can be potentially adjusted as required. However, there is debate about how the properties of such special

• ; organic–inorganic hybrid materials; particle synthesis; semiconductors; transport across interfaces; Introduction Recently the class of hybrid perovskites attracted great attention in materials chemistry and physics [1][2][3]. In addition to an outstanding performance in photovoltaics, a peculiar feature

Implementation of data-cube pump–probe KPFM on organic solar cells

• Benjamin Grévin,
• Olivier Bardagot and
• Renaud Demadrille

Beilstein J. Nanotechnol. 2020, 11, 323–337, doi:10.3762/bjnano.11.24

• approximation, this effect can be understood by assuming that there are no permanent charges in the “dark” (i.e., unilluminated) state of the organic layer considered as an undoped semiconductor. In “real” samples trapped carriers and electrostatic dipoles at the donor–acceptor interfaces contribute to the

• global electrostatic landscape probed by KPFM in the dark state [20]. The photocharging dynamics can be understood as follows. After exciton splitting and dissociation of the charge transfer states at the D–A interfaces, the photogenerated carriers experience a drift-diffusion limited by the carrier

• mobility [21]. Internal electric fields due to band bending at the D–A interfaces and at the organic/substrate interface play a key role in this process. In an open-circuit configuration occurring in KPFM experiments, the charges will move until the internal electric fields are compensated. Then the charge

Anomalous current–voltage characteristics of SFIFS Josephson junctions with weak ferromagnetic interlayers

• Tairzhan Karabassov,
• Anastasia V. Guravova,
• Aleksei Yu. Kuzin,
• Elena A. Kazakova,
• Shiro Kawabata,
• Boris G. Lvov and
• Andrey S. Vasenko

Beilstein J. Nanotechnol. 2020, 11, 252–262, doi:10.3762/bjnano.11.19

• , with thicknesses df1 and df2. The system contains three interfaces: two S/F (superconductor/ferromagnet) boundaries and one tunnel F-I-F interface. Each of these interfaces is described by the dimensionless parameter γBj = RBjσn/ξn (j = 0, 1, 2), which is proportional to the resistance RBj across the

• characteristic decay length of the real part of the pair wave function in the ferromagnet, ξf1, which we introduce later in Equation 13 and Equation 14. We assume that the S/F interfaces are not magnetically active. We also neglect the nonequilibrium effects [89][90][91] and use the Matsubara Green’s functions

• technique, which has been developed to describe many-body systems in equilibrium at finite temperature [92]. In our model the tunneling barrier is located between two F layers at x = 0 (Figure 1), whereas the other interfaces at x = −df1 and x = df2 are identical and transparent. This case corresponds to

Nanosecond resistive switching in Ag/AgI/PtIr nanojunctions

• Botond Sánta,
• Dániel Molnár,
• Patrick Haiber,
• Agnes Gubicza,
• Edit Szilágyi,
• Zsolt Zolnai,
• András Halbritter and
• Miklós Csontos

Beilstein J. Nanotechnol. 2020, 11, 92–100, doi:10.3762/bjnano.11.9

• Budapest, Hungary Department of Physics, University of Konstanz, Universitätstrasse 10, D-78464 Konstanz, Germany Empa, Swiss Federal Laboratories for Materials Science and Technology, Transport at Nanoscale Interfaces Laboratory, Überlandstrasse 129, CH-8600 Dübendorf, Switzerland Wigner Research Centre

• ][27] have been promoted in terms of the “atomic switch” by K. Terabe et al. utilizing Ag2S as the ionic conductor medium [28]. The roles of the matrix, the electrode, and their interfaces in the filament formation have been extensively investigated covering a broad range of materials systems [4

An investigation on the drag reduction performance of bioinspired pipeline surfaces with transverse microgrooves

• Weili Liu,
• Hongjian Ni,
• Peng Wang and
• Yi Zhou

Beilstein J. Nanotechnol. 2020, 11, 24–40, doi:10.3762/bjnano.11.3

• friction between two liquid interfaces in the bionic pipe flow. In addition, extra frictional drag formed between the vortexes and grooved wall, whose direction was the same as the flow direction. This resulted in the frictional drag having a ‘driving’ effect on the fluid flow. As such, the reduction of

Advanced hybrid nanomaterials

• Andreas Taubert,
• Fabrice Leroux,
• Pierre Rabu and
• Verónica de Zea Bermudez

Beilstein J. Nanotechnol. 2019, 10, 2563–2567, doi:10.3762/bjnano.10.247

• improved or even completely new properties. This has been called a Lego©-like approach to materials synthesis [18]. The main issue in this approach is to monitor and control interactions between different bricks and to understand the physico-chemical mechanisms involved at the interfaces between the

• critical importance of interfaces. In the current issue, from “simple” to more elaborated, we here observe the importance of the polyol method, the non-hydrolytic or colloidal approach, and ordered mesopore templating techniques. In “Tailoring the magnetic properties of cobalt ferrite nanoparticles using