Prediction of Co and Ru nanocluster morphology on 2D MoS₂ from interaction energies

• Cara-Lena Nies and
• Michael Nolan

Beilstein J. Nanotechnol. 2021, 12, 704–724, doi:10.3762/bjnano.12.56

• interaction between metals and the MoS2 monolayer is of great importance when selecting systems for specific applications. In previous studies the focus has been largely on the strength of the interaction between a single atom or a nanoparticle of a range of metals, which has created a significant knowledge

• gap in understanding thin film nucleation on 2D materials. In this paper, we present a density functional theory (DFT) study of the adsorption of small Co and Ru structures, with up to four atoms, on a monolayer of MoS2. We explore how the metal–substrate and metal–metal interactions contribute to the

• insights, there is a knowledge gap in the understanding of metal thin film nucleation on 2D materials [28]. We showed that we can investigate the first stages of thin film nucleation on 2D materials with first principles simulations, using the example of small Cun structures on an MoS2 monolayer (ML). MoS2

A review of defect engineering, ion implantation, and nanofabrication using the helium ion microscope

• Frances I. Allen

Beilstein J. Nanotechnol. 2021, 12, 633–664, doi:10.3762/bjnano.12.52

• also be used to tune the local conductivity. A further study demonstrating the importance of factors other than the total dose investigated the effect of the size of the irradiated area [22]. Regions of monolayer graphene (again, supported) were irradiated using pattern shapes of different sizes

• nanoscale regions. Several other studies of selective helium ion-induced conductivity changes in graphene have also been conducted [23] and a theoretical treatment of defect-induced conductivity changes upon helium ion irradiation of free-standing compared to supported monolayer graphene can be found in [24

• formation of extended metallic edge states in the defective lattice was proposed for the pseudometallic regime [26]. Line irradiation with helium ions bisecting a monolayer MoS2 flake has been shown to create a defective channel that can be used to fabricate a 2D memristive device [27]. And in a subsequent

Stability and activity of platinum nanoparticles in the oxygen electroreduction reaction: is size or uniformity of primary importance?

• Kirill O. Paperzh,
• Anastasia A. Alekseenko,
• Vadim A. Volochaev,
• Ilya V. Pankov,
• Olga A. Safronenko and
• Vladimir E. Guterman

Beilstein J. Nanotechnol. 2021, 12, 593–606, doi:10.3762/bjnano.12.49

• decrease in all sections of the CVs (Figure 4). The calculation based on the amount of energy consumed for the electrochemical adsorption and desorption of an atomic hydrogen monolayer showed that an increase in the Pt loading in the obtained samples (from 20.4 to 39 wt %) leads to a decrease in the ESA

Properties of graphene deposited on GaN nanowires: influence of nanowire roughness, self-induced nanogating and defects

• Jakub Kierdaszuk,
• Piotr Kaźmierczak,
• Justyna Grzonka,
• Aleksandra Krajewska,
• Aleksandra Przewłoka,
• Wawrzyniec Kaszub,
• Zbigniew R. Zytkiewicz,
• Marta Sobanska,
• Maria Kamińska,
• Andrzej Wysmołek and
• Aneta Drabińska

Beilstein J. Nanotechnol. 2021, 12, 566–577, doi:10.3762/bjnano.12.47

• a separate analysis of graphene strain, carrier concentration, and defects. The presented analysis is also important in the tracing of the interdependencies of the parameters which characterize graphene properties. Experimental Monolayer graphene was grown by chemical vapour deposition (CVD) on a

• carrier mobility in N0 and N100 samples (Figure 3b, Figure 3f). The intensity ratio of 2D and G graphene bands in monolayer graphene has been reported to be negatively correlated with carrier concentration [15]. A higher Fermi energy increases the probability of scattering on free carriers, which adds to

Local stiffness and work function variations of hexagonal boron nitride on Cu(111)

• Abhishek Grewal,
• Yuqi Wang,
• Matthias Münks,
• Klaus Kern and
• Markus Ternes

Beilstein J. Nanotechnol. 2021, 12, 559–565, doi:10.3762/bjnano.12.46

• buckling perpendicular to the surface. Interestingly, this is in contrast to measurements by Schwarz et al. who used a more local analysis of the corrugation by exploiting nc-AFM concluding an absolute height difference of 0.3–0.7 Å between “rim” and “valley” sites of the spatially corrugated monolayer [26

• modulation [30]. To shed more light on this controversy we use an alternative method to verify the mechanical properties of the monolayer by measuring the stiffness of the h-BN layer at different locations of the superstructure and comparing these results with concomitantly recorded local work function

• variations. We determine the stiffness of the system by mapping and comparing the short-range interaction forces between the monolayer and the probing metallic tip [31]. This technique enables us to detect the sheet stiffness with unprecedented spatial resolution [23]. On h-BN/Rh(111), a different system

Influence of electrospray deposition on C₆₀ molecular assemblies

• Antoine Hinaut,
• Sebastian Scherb,
• Sara Freund,
• Zhao Liu,
• Thilo Glatzel and
• Ernst Meyer

Beilstein J. Nanotechnol. 2021, 12, 552–558, doi:10.3762/bjnano.12.45

• different surfaces and compare, for sub-monolayer coverages, the influence of the deposition method on the formation of molecular assemblies. Whereas the island location is the main difference for metal surfaces, we observe for alkali halide and metal oxide substrates that the high-vacuum electrospray

• the first molecules studied in HV-ESD experiments [5][30]. Here, we present a comparison between TE and HV-ESD regarding the adsorption and structure formation of C60 molecules on surfaces at low coverages, that is, below one monolayer down to single molecules. We used a non-contact atomic force

• us to discuss the influence of the HV-ESD method for the different surfaces. Results and Discussion C60 on Au(111) The deposition of C60 molecules on a Au(111) surface at room temperature via TE is known to lead to the formation of monolayer islands until the surface is fully covered [21][25][28]. A

On the stability of microwave-fabricated SERS substrates – chemical and morphological considerations

• Limin Wang,
• Aisha Adebola Womiloju,
• Christiane Höppener,
• Ulrich S. Schubert and
• Stephanie Hoeppener

Beilstein J. Nanotechnol. 2021, 12, 541–551, doi:10.3762/bjnano.12.44

• glass capillaries or on scanning force microscopy tips) in a very economic and fast (less than five minutes) coating process. The formed substrates, which are coated with a monolayer of silver nanoparticles, have been demonstrated to be highly reproducible and to perform very well in the detection of

• additives to fabricate uniform Ag nanoparticles. These include basic aminoacids (such as ʟ-lysine or ʟ-arginine) and soluble starch or other additives, which act as reducing and protecting agents, respectively [22]. In our approach, the monolayer of silver nanoparticles is formed by the reduction of silver

• coated with a self-assembled monolayer of 4-aminothiophenol (4-ATP), which serves as a defined molecular probe layer to determine the SERS activity of the substrates. Results and Discussion For the performed stability tests, SERS substrates were fabricated by microwave-assisted synthesis in a batch

The preparation temperature influences the physicochemical nature and activity of nanoceria

• Robert A. Yokel,
• Wendel Wohlleben,
• Johannes Georg Keller,
• Matthew L. Hancock,
• Jason M. Unrine,
• D. Allan Butterfield and
• Eric A. Grulke

Beilstein J. Nanotechnol. 2021, 12, 525–540, doi:10.3762/bjnano.12.43

• contrast, solvothermally synthesized nanoceria was coated with, on average, a monolayer of citrate, intentionally applied to inhibit agglomeration [35]. It is assumed that the citrate coating was dissolved as surface cerium ions were solubilized. The reduction in absolute zeta potential of the partially

Surface-enhanced Raman scattering of water in aqueous dispersions of silver nanoparticles

• Paulina Filipczak,
• Krzysztof Hałagan,
• Jacek Ulański and
• Marcin Kozanecki

Beilstein J. Nanotechnol. 2021, 12, 497–506, doi:10.3762/bjnano.12.40

• enhanced by the mobility decrease in the nearest vicinity of the metal nanoparticle and by the increase of the rotational relaxation time and residence time of water molecules surrounding the ion wall in a charged monolayer-protected Au nanoparticle [39]. Assuming that the observed Raman enhancement is

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

• transfer with the oxide substrate was observed, involving both the macrocycle and the central metal atom. For molecules of the first monolayer, an electron transfer to the central metal atom is concluded from transition metal 2p core level photoemission spectra. The number of interacting molecules in the

• first monolayer on the oxide surface depends on the central metal atom of the phthalocyanine, whereas the substrate preparation has minor influence on the interaction between CoPc and SrTiO3(100). Differences of the interaction mechanism to related TiO2 surfaces are discussed. Keywords: charge transfer

• in a predominantly SrO-terminated, but mixed crystal surface. In order to modify the surface preparation, another procedure, called “preparation II”, was applied. After a wet chemical preparation, a monolayer of TiO2 was grown epitaxially on top of the STO surface by evaporation of Ti (0.6 Å) in an

Reconstruction of a 2D layer of KBr on Ir(111) and electromechanical alteration by graphene

• Zhao Liu,
• Antoine Hinaut,
• Stefan Peeters,
• Sebastian Scherb,
• Ernst Meyer,
• Maria Clelia Righi and
• Thilo Glatzel

Beilstein J. Nanotechnol. 2021, 12, 432–439, doi:10.3762/bjnano.12.35

• pattern. Comprehensive calculations by DFT, taking into account the observed periodicities, resulted in a new low-energy reconstruction. However, it is fully relaxed into a common cubic structure when a monolayer of graphene is located between substrate and KBr. By using Kelvin probe force microscopy, the

• hexagonal boron nitride (h-BN), which cannot only be used as a functional insulating monolayer [8][9][10], but can also be stacked with graphene layers [11][12] and has, among other interesting properties, a very stable structural superlubricity [7]. Besides the stacking of different monolayers, the

• to the expected cubic configuration of bulk KBr and the work function of the system is strongly altered. Results and Discussion The thermal deposition of less than a monolayer of KBr on an atomically clean Ir(111) surface under ultrahigh vacuum (UHV) conditions results in the formation of islands on

The patterning toolbox FIB-o-mat: Exploiting the full potential of focused helium ions for nanofabrication

• Victor Deinhart,
• Lisa-Marie Kern,
• Jan N. Kirchhof,
• Sabrina Juergensen,
• Joris Sturm,
• Enno Krauss,
• Thorsten Feichtner,
• Sviatoslav Kovalchuk,
• Michael Schneider,
• Dieter Engel,
• Bastian Pfau,
• Bert Hecht,
• Kirill I. Bolotin,
• Stephanie Reich and
• Katja Höflich

Beilstein J. Nanotechnol. 2021, 12, 304–318, doi:10.3762/bjnano.12.25

• knock-out. Typically, ion beam machining is carried out under high-vacuum conditions, where the amount of contaminants in the chamber (mostly water, but also hydrocarbons) still can form a monolayer per second on average. Often, additional contaminants may be present on the sample surface, for example

• features in the single-digit nanometer range where small sputter rates play a minor role. This holds true not only for monolayer 2D materials, such as graphene, but also for thin films forming quasi 2D geometries. The versatility of the corresponding materials opens a wide field of exciting applications

Extended iron phthalocyanine islands self-assembled on a Ge(001):H surface

• Rafal Zuzak,
• Marek Szymonski and
• Szymon Godlewski

Beilstein J. Nanotechnol. 2021, 12, 232–241, doi:10.3762/bjnano.12.19

• ) phthalocyanine (FePc) molecules on a Ge(001):H surface results in monolayer islands extending over hundreds of nanometers and comprising upright-oriented entities. Scanning tunneling spectroscopy reveals a transport gap of 2.70 eV in agreement with other reports regarding isolated FePc molecules. Detailed

• molecular wetting layers [15] and two-dimensional materials, such as graphene [16][17], hBN [11][18], or even organic layers [19]. Recently, it has been proposed that a monolayer of transition metal dichalcogenides, for example, MoS2, may play a similar role [4][20][21]. Similarly, it has been reported that

• mentioning that the observed structure does not correspond to any known FePc crystal phase. This indicates the influence of the substrate–molecule interactions on the crystal formation in the monolayer. The bulk α-FePc phase is characterized by columns within which the separation between the centers of the

Scanning transmission helium ion microscopy on carbon nanomembranes

• Daniel Emmrich,
• Annalena Wolff,
• Nikolaus Meyerbröker,
• Jörg K. N. Lindner,
• André Beyer and
• Armin Gölzhäuser

Beilstein J. Nanotechnol. 2021, 12, 222–231, doi:10.3762/bjnano.12.18

• program Stopping and Range of Ions in Matter (SRIM) was used for Monte Carlo simulations [26]. When simulating thin membranes, it is important to use the monolayer collisions calculation type. Otherwise inaccurate results could be obtained as the collisions will be averaged over the mean free path. The

• using the software package TRIM in the program Stopping and Range of Ions in Matter (SRIM) [26]. The “Surface Sputtering/Monolayer Collision Steps” calculation was selected due to the limited thickness of the membranes to ensure that the collisions in each monolayer were considered. 50000 ions at 15 and

TiO_x/Pt₃Ti(111) surface-directed formation of electronically responsive supramolecular assemblies of tungsten oxide clusters

• Marco Moors,
• Yun An,
• Agnieszka Kuc and
• Kirill Yu. Monakhov

Beilstein J. Nanotechnol. 2021, 12, 203–212, doi:10.3762/bjnano.12.16

• monolayer/s. The deposition rate was obtained by previously performed calibration measurements using a quartz microbalance, which was positioned in the same direction and distance toward the evaporation source as the sample in order to obtain comparable results. The surface coverages shown herein represent

• ’-TiOx phase with a marked unit cell. The dark areas inside the trenches represent holes in the oxide film. (c) The z’-TiOx phase after deposition of W3O9 (≈0.1 monolayer coverage; 40 × 40 nm; UB = 1.00 V; IT = 86 pA). The clusters are always aligned along the trenches. (d) A submolecular resolution scan

• ; IT = 100 pA) of the w’-TiOx phase with a marked unit cell. The bright spots represent the coincidence points in the moiré structure caused by the interplay between the oxide layer and the substrate. (c) The w’-TiOx phase after deposition of W3O9 (≈0.6 monolayer coverage; 50 × 50 nm; UB = 1.57 V; IT

Fusion of purple membranes triggered by immobilization on carbon nanomembranes

• René Riedel,
• Natalie Frese,
• Fang Yang,
• Martin Wortmann,
• Raphael Dalpke,
• Daniel Rhinow,
• Norbert Hampp and
• Armin Gölzhäuser

Beilstein J. Nanotechnol. 2021, 12, 93–101, doi:10.3762/bjnano.12.8

• electron irradiation-induced cross-linking of a self-assembled monolayer (SAM) of 4′-nitro-1,1′-biphenyl-4-thiol (NBPT) and second, purple membrane (PM) containing genetically modified bacteriorhodopsin (BR) carrying a C-terminal His-tag. The NBPT-CNM was further modified to carry nitrilotriacetic acid

• (NTA) terminal groups for the interaction with the His-tagged PMs forming a quasi-monolayer of His-tagged PM on top of the CNM-NTA. The formation of the Ni-NTA/His-tag complex leads to the unidirectional orientation of PM on the CNM substrate. Electrophoretic sedimentation was employed to optimize the

• -standing, large-area PM monolayer remains challenging. Previous approaches for the oriented assembly of PM were based on solid supports [8][29][30] or interfaces between liquids [31][32]. Other approaches, by implementing transmembrane proteins such as BR in lipid bilayers, have so far been used only to

ZnO and MXenes as electrode materials for supercapacitor devices

• Ameen Uddin Ammar,
• Ipek Deniz Yildirim,
• Feray Bakan and
• Emre Erdem

Beilstein J. Nanotechnol. 2021, 12, 49–57, doi:10.3762/bjnano.12.4

• of N-CuMe2Pc nanorods. The sample M10P2, in which 10 mg of MXene and 2 mg N-CuMe2Pc were used, exhibited high ionic conductivity and the measured value of the specific capacitance was 786 F·g−1 [16]. Li et al. synthesized monolayer wrinkled Ti3C2Tx grafted with HF and decorated with N-doped carbon by

Nanomechanics of few-layer materials: do individual layers slide upon folding?

• Ronaldo J. C. Batista,
• Rafael F. Dias,
• Ana P. M. Barboza,
• Alan B. de Oliveira,
• Taise M. Manhabosco,
• Thiago R. Gomes-Silva,
• Matheus J. S. Matos,
• Andreij C. Gadelha,
• Cassiano Rabelo,
• Luiz G. L. Cançado,
• Ado Jorio,
• Hélio Chacham and
• Bernardo R. A. Neves

Beilstein J. Nanotechnol. 2020, 11, 1801–1808, doi:10.3762/bjnano.11.162

• been obtained through radial deformations [32], lattice dynamics studies [33], deformations of suspended layers [2][6], and bubble profiles [12]. The values reported for the bending stiffness of a graphene monolayer vary from 0.8 to 10,000 eV [34]. Also, there is no consensus on how κ varies with the

• . The measured values of thickness h, from 1.2 to 30.0 nm, indicate that the measured folds involve materials from monolayer talc to approx. 30-layer talc. The corresponding values of the radius R0 range from 2.15 to 162 nm, that is, an increase of two orders of magnitude. The figure also shows a fitted

• geometries for folded edges in a graphene monolayer (Figure 2a) and in three-layered graphene (Figure 2b), obtained through MD simulations (details about MD simulations are found in Supporting Information File 1). As can be seen in Figure 2a, the model geometry consists of a sequence of straight lines and

Imaging and milling resolution of light ion beams from helium ion microscopy and FIBs driven by liquid metal alloy ion sources

• Nico Klingner,
• Gregor Hlawacek,
• Paul Mazarov,
• Wolfgang Pilz,
• Fabian Meyer and
• Lothar Bischoff

Beilstein J. Nanotechnol. 2020, 11, 1742–1749, doi:10.3762/bjnano.11.156

• ) for helium (13 fold) but only from 6 nm (milling) to 4 nm (imaging) for lithium (1.5 fold). The simulated minimum milling width of a 30 keV point-like ion beam in Figure 4 has been obtained using SRIM [39]. The “monolayer collision steps/surface sputtering” mode has been used to simulate the size of

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

• 18,150 and 18,450 cm−1 can be detected, already from the first monolayer onward. In contrast, FL from PTCDA on a bare Cu(111) surface is present only from the second PTCDA layer onward. Hence, a single layer of hBN decouples PTCDA from the metal substrate to an extent that a weak radiative FL decay of

• to which extent decoupling of the organic molecules from a metal electrode is achieved when a 2DM layer in the limit of a single interfacial layer, for example, a monolayer of hexagonal boron nitride (hBN), is used. Such a decoupling is achieved when the wave functions of the metal are spatially

• molecule from a metal substrate by a monolayer of hBN we chose PTCDA and the Cu(111) surface. PTCDA serves as a planar model molecule for investigations of organic layers on surfaces [20][21][22][23]. Monolayers of hBN on Cu(111) have been investigated by several groups and are, hence, rather well

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

• 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

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

• photoemission tomography (PT) have enabled the quantification of both the charge on individual molecules and the number of charged molecules in the 5A monolayer (ML) [14]. For 5A MLs on regularly grown epitaxial MgO(100) films, all molecules appear to be charged. Orbital-resolved STM reveals the LUMO both above

• pinning regime” has been realized by the proportion of charged and neutral molecules coexisting in the first monolayer, as schematically illustrated in Figure 1. In this work function regime, ranging from all the molecules being charged to no molecules being charged, the molecular ML is characterized by a

• physical coupling to the substrate induced by the charge transfer. Finally, the charging effect on the thermal dynamics and the stability of the 6P monolayer are considered. Results and Discussion Ambivalent behavior of 6P on regularly prepared MgO(100)/Ag(100) thin films Figure 2 shows STM images of four

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

• findings in the monolayer regime on Ag(111). Accordingly, as for the trans-like pyrene 2, the support played a minor role in the intralayer structure of the extended molecular arrays. Nonetheless, the results for the pyrenes 1–3 on hBN/Cu(111) clearly demonstrated that the support did affect the rotational

• was cleaned by repeated Ar+ sputtering cycles at an energy of 800–1000 eV, followed by annealing at 1070 K. Monolayer hBN was grown via chemical vapor deposition using borazine ((HBNH)3, Katchem spol s.r.o, www.katchem.cz), following a protocol described previously [25]. Subsequently, a submonolayer

One-step synthesis of carbon-supported electrocatalysts

• Sebastian Tigges,
• Nicolas Wöhrl,
• Ivan Radev,
• Ulrich Hagemann,
• Markus Heidelmann,
• Thai Binh Nguyen,
• Stanislav Gorelkov,
• Stephan Schulz and
• Axel Lorke

Beilstein J. Nanotechnol. 2020, 11, 1419–1431, doi:10.3762/bjnano.11.126

• presented synthesis method). A Pt wire was used as the counter electrode, and Hg/HgSO4 (sat. K2SO4) from Radiometer Analytical with an electrode potential of 680 mV vs NHE (measured by us) was used as the reference electrode. The ECSA was calculated based on the Hads peaks and a hydrogen monolayer

Analysis of catalyst surface wetting: the early stage of epitaxial germanium nanowire growth

• Owen C. Ernst,
• Felix Lange,
• David Uebel,
• Thomas Teubner and
• Torsten Boeck

Beilstein J. Nanotechnol. 2020, 11, 1371–1380, doi:10.3762/bjnano.11.121

• values below the abscissa and converges towards zero. This is a major distinction since values above zero leads to the formation of a continuous thin film, whereas values below zero promote the formation of droplets on the surface. Since a gold monolayer has a nominal thickness of 0.32 nm, the maximum

• thickness of 0.38 nm, predicted in the vW model at 550 °C, exceeds the monolayer thickness and a second gold monolayer starts to form. Consequently, this model predicts the growth of a layer of gold on silicon oxide. In contrast to the vW model, the other two models predict droplet formation over the entire

• same behaviour: Gold forms droplets on silicon with a wetting layer between the droplets. The thickness of the wetting layer is approx. 0.28 ± 0.02 nm, at room temperature, and approx. 0.34 ± 0.08 nm at 550 °C, since the zero-crossing of the graphs occurs at these values. Assuming that a gold monolayer