Determining amplitude and tilt of a lateral force microscopy sensor

• Oliver Gretz,
• Alfred J. Weymouth,
• Thomas Holzmann,
• Korbinian Pürckhauer and
• Franz J. Giessibl

Beilstein J. Nanotechnol. 2021, 12, 517–524, doi:10.3762/bjnano.12.42

• experimental setup is to study an isolated surface feature, for instance, a defect or an adsorbate, on a flat terrace. In case of “normal” AFM, where the tip oscillates perpendicular to the surface, long-range forces including electrostatic and van der Waals forces contribute to the measured Δf signal, which

• molecular adsorbate [11][12]. Moreover, other methods, including the use of a long tip on a qPlus sensor that oscillates laterally at a higher flexural mode are also possible [13]. In LFM or normal AFM, the recorded frequency shift Δf is related to the force gradient kts in the direction of the tip

• = 100 meV, σ = 500 pm and λ = 50 pm. We first calculated the z-dependence of ⟨kts⟩ for a tip with no tilt oscillating vertically above the center of the adsorbate. For θ, as defined in Figure 1a, being 90°, the calculated values of ⟨kts⟩ are shown in Figure 2a (red dashed curve). We also calculated ⟨kts

Interface interaction of transition metal phthalocyanines with strontium titanate (100)

• Reimer Karstens,
• Thomas Chassé and
• Heiko Peisert

Beilstein J. Nanotechnol. 2021, 12, 485–496, doi:10.3762/bjnano.12.39

• be driven by the ionization potential difference between substrate and adsorbate. In addition, fluorination may affect significantly the adsorption geometry on surfaces as well as the single-crystal structure and arrangement in thin films [34][35][36][37]. Furthermore, local chemical interactions

• might become possible between particular atoms of substrate and adsorbate. For example, for many CoPc and CoPcF16 interfaces to noble metals, the interfacial interaction is governed by a local interaction between the Co 3dz2 orbital and states of the metal substrate [38][39][40]. Thus, the selected

• resublimed before usage. The materials were evaporated from temperature-controlled crucibles. The nominal layer thickness was estimated from substrate- and adsorbate-related XPS intensity ratios using photoemission cross sections from Yeh and Lindau [41]. A nominal monolayer of lying molecules corresponds to

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

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

• Bayesian Optimization Structure Search (BOSS) method as an efficient solution for identifying the structure of non-planar adsorbates. We apply BOSS with density-functional theory simulations to detect the stable adsorbate structures of (1S)-camphor on the Cu(111) surface. We identify the optimal structure

• been applied in detecting molecular conformers [25] and adsorbate structures [26][27], in identifying stable molecular compounds [28], and in discovering materials with low thermal hysteresis [29] or thermal conductivity [30]. Typically, previous studies have employed customized material-specific

• detect the stable adsorbate structures of camphor on Cu(111). With BOSS, we build a surrogate model of the PES of adsorption and data-mine this PES to identify the stable structures in its minima. We converge the model for a reliable detection of all the PES minima, not only the global energy minimum. We

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

• of such decoupling layers may effectively change the electron donating properties of the substrate, for example, by lowering its work function and thus enhancing the charging of the molecular adsorbate layer through electron tunneling. Here, an experimental study of the charging of para-sexiphenyl

• layer is not a sufficient condition for decoupling. Although it reduces wave function overlap with the substrate, it can in fact promote charge transfer via tunneling. The determining factor is the energy level alignment of the frontier orbitals of the adsorbate relative to the Fermi level (EF) of the

• that systematic thickness-dependent studies of charge transfer to 6P could not be performed. On dielectric interlayers, a simple measurement of the work function before and after the adsorbate overlayer growth is perhaps the most telling result with regard to electronic and physical coupling. If there

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

• 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

• the photon energy, which allowed to determine the coherent position (PH) and the coherent fraction (fH) of the adsorbate atoms [66][69]. The former gave the adsorption distance in terms of the lattice spacing of the silver substrate: dH = d0(n + PH) (typical precision < 0.05 Å), with n being an

• integer. The coherent fraction 0 ≤ fH ≤ 1 describes the degree of vertical order of the adsorbate atoms, with fH = 0 for a completely disordered system and fH = 1 for all probed adsorbate atoms having the same adsorption distance. XSW measurements were performed for two (sub)monolayer coverages of F4PEN

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

• corresponding epitaxy matrix as well as the lattice parameters are summarized in Table 1. We used the projection method proposed by Forker et al. to identify possible coincidences of the adsorbate and the substrate lattice [35]. We find more than one possible coincidence within the error margin of the epitaxy

• ordered DBP on h-BN/Ni(111), suitable coincidences with the lowest substrate orders are the on-line coincidences (1, 2), (−1, −2), (−2, 1), and (2, −1). A comparison with reported lateral structures of DBP on Ag(111) [34] and Au(111) [33] shows very similar adsorbate lattice parameters except for the unit

• by the LT-STM measurement shown in Figure 3b. We superimposed the STM image by the contours of the two molecules in the unit cell as well as the adsorbate lattice as determined by LEED. A DBP molecule is characterized by four bright protrusions, which correspond to the phenyl substituents oriented

Scanning tunneling microscopy and spectroscopy of rubrene on clean and graphene-covered metal surfaces

• Karl Rothe,
• Alexander Mehler,
• Nicolas Néel and
• Jörg Kröger

Beilstein J. Nanotechnol. 2020, 11, 1157–1167, doi:10.3762/bjnano.11.100

• monatomically thin buffer layers (BLs) on metal surfaces, i.e., as intermediate films that efficiently reduce the hybridization of an adsorbate with the metallic substrate. The minimization of the adsorbate–substrate coupling is motivated by the desire to preserve genuine properties of the free atom or molecule

• resonances on surfaces are desirable because they increase the residence time of injected charge at the adsorbate, which is favorable for, e.g., energy conversion processes or the observation of vibronic progression [1]. Structural aspects of adsorption on the prominent two-dimensional materials graphene [2

• adjacent molecules. A finite adsorbate–substrate interaction is reflected by the presence of a molecular superstructure that matches the period of the Au(111) reconstruction. However, the HOMO resonance width has decreased by a factor of three compared to its width on Pt(111). Even vibronic progression due

Adsorption behavior of tin phthalocyanine onto the (110) face of rutile TiO₂

• Lukasz Bodek,
• Mads Engelund,
• Aleksandra Cebrat and
• Bartosz Such

Beilstein J. Nanotechnol. 2020, 11, 821–828, doi:10.3762/bjnano.11.67

• molecular adsorbate and the substrate, as was presented for CuTPP on rutile (110) [33]. The charge state of a CuTPP molecule depends on the particular localization of hydroxy groups under the molecule. For Sn-down Pc molecules, the relaxation brings the macrocycle closer to the surface, which increases long

Adsorptive removal of bulky dye molecules from water with mesoporous polyaniline-derived carbon

• Hyung Jun An,
• Jong Min Park,
• Nazmul Abedin Khan and
• Sung Hwa Jhung

Beilstein J. Nanotechnol. 2020, 11, 597–605, doi:10.3762/bjnano.11.47

• adsorption time and the type of adsorbate or dye. In order to determine the maximum adsorption capacity of KOH-900 and AC for AR1, adsorption isotherms were obtained from adsorption for 6 h with a wide range of AR1 concentrations. The adsorption isotherms and Langmuir plots are illustrated in Figure 6a and

• bonding [57][58][59], were applied to interpret various adsorption events. In order to understand the plausible mechanism, especially in aqueous phase, adsorption over a wide range of pH conditions is very effective [60] since both the adsorbate and adsorbent can be changed in terms of charge or

An advanced structural characterization of templated meso-macroporous carbon monoliths by small- and wide-angle scattering techniques

• Felix M. Badaczewski,
• Marc O. Loeh,
• Torben Pfaff,
• Dirk Wallacher,
• Daniel Clemens and
• Bernd M. Smarsly

Beilstein J. Nanotechnol. 2020, 11, 310–322, doi:10.3762/bjnano.11.23

• adsorbates such as nitrogen, argon, krypton or carbon monoxide. We chose p-xylene as an adsorbate for vapour sorption to address the sorption at room temperature. To obtain a detailed view of the nanopore space, which exhibits micro-, meso- and macropores, but with an upper limit of ca. 100 nm, small-angle

Antimony deposition onto Au(111) and insertion of Mg

• Lingxing Zan,
• Da Xing,
• Abdelaziz Ali Abd-El-Latif and
• Helmut Baltruschat

Beilstein J. Nanotechnol. 2019, 10, 2541–2552, doi:10.3762/bjnano.10.245

• ]. Unfortunately, the resolution between the rows is not sufficient to estimate a second (incommensurate) lattice vector of the adsorbate. We therefore only show a model for the arrangement of the atoms in the direction of the rows in Figure 6 (vector ). Bulk deposition of Sb on Au(111) A freshly prepared Au(111

The role of Ag⁺, Ca²⁺, Pb²⁺ and Al³⁺ adions in the SERS turn-on effect of anionic analytes

• Stefania D. Iancu,
• Andrei Stefancu,
• Vlad Moisoiu,
• Loredana F. Leopold and
• Nicolae Leopold

Beilstein J. Nanotechnol. 2019, 10, 2338–2345, doi:10.3762/bjnano.10.224

• adsorption sites specific for the anionic analytes. The turn-on of the SERS effect is explained in the context of the chemical mechanism of SERS. The adions form SERS-active sites on the silver surface enabling a charge transfer between the adsorbate and the silver surface. High-intensity SERS spectra of

• adsorbate and the metal nanosurface, the coupling to the silver surface being mediated by adsorbed atoms (adatoms) such as Ag+, Cl−, I−, Br− [3][4][5][6]. In this context, several reports explain the SERS enhancement by the formation of stable surface complexes of atomic scale roughness. For example, a Ag

•  2B). Comparing the Raman spectrum of salicylic acid in aqueous solution (0.1 M) with the SERS spectrum reveals that several bands shift to lower wave numbers due to the interaction of the adsorbate with the silver surface (Supporting Information File 1, Figure S3B). For example, the C=C stretching

Pulsed laser synthesis of highly active Ag–Rh and Ag–Pt antenna–reactor-type plasmonic catalysts

• Kenneth A. Kane and
• Massimo F. Bertino

Beilstein J. Nanotechnol. 2019, 10, 1958–1963, doi:10.3762/bjnano.10.192

• return to ground-state potential energy with additional vibrational energy. The process does not require charge extraction from the metal. Rather, it leads to an electronic excitation in the adsorbate–metal complex, forming transient adsorbate ions. The adsorbate ions can survive on metal surfaces tens

• of femtoseconds before relaxation, which is sufficient for chemical transformation or additional vibrational energy to be transferred to the adsorbate, leading to reaction [14]. There are two mechanisms that can lead to the electronic excitation in the adsorbate–metal complex. The first is the

• unpopulated adsorbate states. The second mechanism is the direct transfer of energy, or the direct excitation of charge carriers from the metal to unpopulated adsorbate states within the metal–reactant complex [15]. Light energy, localized at the surface of a plasmonic NP, can be transferred to a neighboring

The impact of crystal size and temperature on the adsorption-induced flexibility of the Zr-based metal–organic framework DUT-98

• Simon Krause,
• Volodymyr Bon,
• Hongchu Du,
• Rafal E. Dunin-Borkowski,
• Ulrich Stoeck,
• Irena Senkovska and
• Stefan Kaskel

Beilstein J. Nanotechnol. 2019, 10, 1737–1744, doi:10.3762/bjnano.10.169

• , known to be a rather weakly interacting adsorbate, cannot initiate a structural contraction in downsized crystals of DUT-98. The contraction mechanism in DUT-98(1) was previously shown to depend on pore shrinkage along a reorganization of water molecules within the structure close to the Zr cluster [23

Warped graphitic layers generated by oxidation of fullerene extraction residue and its oxygen reduction catalytic activity

• Machiko Takigami,
• Rieko Kobayashi,
• Takafumi Ishii,
• Yasuo Imashiro and
• Jun-ichi Ozaki

Beilstein J. Nanotechnol. 2019, 10, 1391–1400, doi:10.3762/bjnano.10.137

• equation. The decrease in the heat of adsorption activated the adsorbed state of oxygen molecules. However, lowering the heat too much led to a small interaction between the adsorbent and the adsorbate (i.e., less activation). Further evidence for the changes in the surface properties due to WGL exposure

Pure and mixed ordered monolayers of tetracyano-2,6-naphthoquinodimethane and hexathiapentacene on the Ag(100) surface

• Robert Harbers,
• Timo Heepenstrick,
• Dmitrii F. Perepichka and
• Moritz Sokolowski

Beilstein J. Nanotechnol. 2019, 10, 1188–1199, doi:10.3762/bjnano.10.118

• the screen. The LEED images displayed here were numerically enhanced in contrast. The simulated LEED patterns were calculated according to kinematic theory taking into account the presence of different symmetry-equivalent domains of the adsorbate. The STM images were recorded at RT using Pt/Ir tips in

• intermolecular interactions compared to a commensurate structure. Briefly speaking, this is due to the fact that the lattice of the adsorbate and the substrate have less common Fourier components and that the energy gain related to the interfacial interactions is thus smaller [33]. STM images (Figure 4c) show

• orientation of the TNAP molecule is rather similar in both structures. Because the pure HTPEN phase is commensurate, while the pure TNAP phase is of the point-on-line type, we propose that the stronger adsorbate/substrate interaction of the HTPEN is responsible for the commensurability of second order of the

Serum type and concentration both affect the protein-corona composition of PLGA nanoparticles

• Katrin Partikel,
• Robin Korte,
• Dennis Mulac,
• Hans-Ulrich Humpf and
• Klaus Langer

Beilstein J. Nanotechnol. 2019, 10, 1002–1015, doi:10.3762/bjnano.10.101

• adsorptive capacity of the adsorbent for the adsorbate under examination and was calculated for the adsorption of serum proteins on PLGA NPs. SDS-PAGE analysis of corona proteins After protein adsorption and the last centrifugation step the pellet was resuspended under shaking (1200 rpm, 22 °C) in 30 µL

On the transformation of “zincone”-like into porous ZnO thin films from sub-saturated plasma enhanced atomic layer deposition

• Alberto Perrotta,
• Julian Pilz,
• Stefan Pachmajer,
• Antonella Milella and
• Anna Maria Coclite

Beilstein J. Nanotechnol. 2019, 10, 746–759, doi:10.3762/bjnano.10.74

• the Lorentz–Lorenz relationship and calculated as: where Vads is the volume of the liquid adsorptive in pores, B0 and Bs are the volume polarizability of the film before and during adsorption, Bt is the volume polarizability of the adsorbate multilayer that develops on top of the layer, d0 and dt are

• the thickness of the layer and the adsorbate multilayer, respectively, Vmol is the molecular volume of the adsorptive, and αads is the polarizability of the adsorptive molecule. If swelling occurs, dt is ignored in the equation and only the layer thickness is taken into account, as reported in [49

The effect of translation on the binding energy for transition-metal porphyrines adsorbed on Ag(111) surface

• Luiza Buimaga-Iarinca and
• Cristian Morari

Beilstein J. Nanotechnol. 2019, 10, 706–717, doi:10.3762/bjnano.10.70

• in this model. The chemisorptive contributions to the TMPP–metal binding energy may lead to a charge transfer between molecule and surface [41]. This constitutes a local perturbation for electronic, structural [42][43] and magnetic [44][45] properties of the adsorbate as well as of the substrate

• a qualitative picture of the dynamics of the adsorbate on the surface as well as hints on the self-assembly and formation of covalently bonded structures. Differences in binding energies are an indicator of how easy the molecules change their positions on the surface in order to produce self

• another, it will play an important role in the dynamics of the adsorbate on the surface. Electronic structure and magnetic properties We start our discussion with the magnetic properties of the adsorbed molecules. We found that the magnetic moments are stable with respect to a change in the position of

Ultrathin hydrophobic films based on the metal organic framework UiO-66-COOH(Zr)

• Miguel A. Andrés,
• Clemence Sicard,
• Christian Serre,
• Olivier Roubeau and
• Ignacio Gascón

Beilstein J. Nanotechnol. 2019, 10, 654–665, doi:10.3762/bjnano.10.65

• . CO2 was used as an adsorbate and its concentration into the chamber was controlled with He as a diluting gas. A total gas flow of 50 mL (STP)·min−1 was used in all the experiments and each gas flow was controlled separately using an Alicat Scientific MC-100SCCM-D/5M mass-flow controller. Prior to each

A carrier velocity model for electrical detection of gas molecules

• Ali Hosseingholi Pourasl,
• Sharifah Hafizah Syed Ariffin,
• Mohammad Taghi Ahmadi,
• Razali Ismail and
• Niayesh Gharaei

Beilstein J. Nanotechnol. 2019, 10, 644–653, doi:10.3762/bjnano.10.64

• withdrawing functional molecule. If the adsorbate is a donor, the value of the Mulliken charge must be positive; if it is negative, it is an acceptor molecule. According to Table 1, NO shows acceptor and CO shows donor properties [34][35][36]. The band structure analysis can further explain the gas

• between the adsorbate and AGNR by introducing the hopping integral parameter (t′), was formulated. Then, the molecular adsorption effect on the carrier velocity was investigated in the form of current–voltage properties. The DFT calculations study was performed to further investigate gas molecule

Quantification and coupling of the electromagnetic and chemical contributions in surface-enhanced Raman scattering

• Yarong Su,
• Yuanzhen Shi,
• Ping Wang,
• Jinglei Du,
• Markus B. Raschke and
• Lin Pang

Beilstein J. Nanotechnol. 2019, 10, 549–556, doi:10.3762/bjnano.10.56

• plasmon resonances of the nanostructured metal surface when excited by incident light. The generally weaker chemical enhancement mechanism (CE) is thought to be associated with electronic interactions such as charge redistribution, hybridization, or other interactions between molecular adsorbate and the

• dependent on the local atomic environment of the adsorbate. Optical properties, such as the locations of the optical transitions, oscillator strengths, and homogeneous linewidths, are also critical for molecule–metal complex systems [29]. With improved knowledge of the resonance characteristics and

Polymorphic self-assembly of pyrazine-based tectons at the solution–solid interface

• Achintya Jana,
• Puneet Mishra and
• Neeladri Das

Beilstein J. Nanotechnol. 2019, 10, 494–499, doi:10.3762/bjnano.10.50

• means of split-image technique [21] in which both the adsorbate layer and the substrate are recorded with molecular and atomic resolution, respectively, in a single frame. The details of calibration and correction of STM images is given in the section 5 of Supporting Information File 1. A 5 μL droplet

Removal of toxic heavy metals from river water samples using a porous silica surface modified with a new β-ketoenolic host

• Said Tighadouini,
• Smaail Radi,
• Abderrahman Elidrissi,
• Khadija Haboubi,
• Maryse Bacquet,
• Stéphanie Degoutin,
• Mustapha Zaghrioui and
• Yann Garcia

Beilstein J. Nanotechnol. 2019, 10, 262–273, doi:10.3762/bjnano.10.25

• of adsorbent to be determined at equilibrium. The Langmuir isotherm model, which considers all adsorbent sites to be at equal energy with no adsorbent/adsorbate interactions, is one of the most popular. The non-linearized form of the Langmuir isotherm equation is given below [64][65]: Where qe is the