Theoretical understanding of electronic and mechanical properties of 1T′ transition metal dichalcogenide crystals

• Seyedeh Alieh Kazemi,
• Sadegh Imani Yengejeh,
• Vei Wang,
• William Wen and
• Yun Wang

Beilstein J. Nanotechnol. 2022, 13, 160–171, doi:10.3762/bjnano.13.11

• . Eint was calculated using the following equation: where Ebulk and Emono are the energies of the bulk and monolayer of TMDs, respectively. N is the number of the layers in each unit cell. To understand the bonding strength between TM and X atoms as well as its impact on the cohesive energy of the TMDs

• TMX2 units in each unit cell. All the TM-X bond lengths are identical due to the high symmetry of 2H TMDs. The calculated lattice constants, monolayer thickness, and TM–X bond length of all systems in 1T′ and 2H polytypes are listed in Table 1. The optimized lattice constants and atomic coordinates are

• provided in Supporting Information File 1. The monolayer thickness is defined as the maximum height difference between the X anions in each layer. It reveals that diselenides have larger lattice constants, bond length, and average layer thickness. In comparison, the impact of the TM cation on the

A comprehensive review on electrospun nanohybrid membranes for wastewater treatment

• Senuri Kumarage,
• Imalka Munaweera and
• Nilwala Kottegoda

Beilstein J. Nanotechnol. 2022, 13, 137–159, doi:10.3762/bjnano.13.10

• membrane from PEO and CS with immobilized carbon quantum dots (CQDs) and Fe3O4 for the efficient removal of mercury ions from water [61]. The synergistic effect of nanofibrous polymer material and inorganic nanoparticles resulted in a maximum monolayer adsorption capacity of 148 mg/g. The Hg2+ sorption

A photonic crystal material for the online detection of nonpolar hydrocarbon vapors

• Evgenii S. Bolshakov,
• Aleksander V. Ivanov,
• Andrei A. Kozlov,
• Anton S. Aksenov,
• Elena V. Isanbaeva,
• Sergei E. Kushnir,
• Aleksei D. Yapryntsev,
• Aleksander E. Baranchikov and
• Yury A. Zolotov

Beilstein J. Nanotechnol. 2022, 13, 127–136, doi:10.3762/bjnano.13.9

• of a monolayer of spherical particles placed on a substrate. 3D structures, which appear in the form of a crystalline colloidal array (CCA), are called opal structures (spherical particles close-packed in an ordered structure). If the structure has been placed in a matrix and the particles have been

Effect of lubricants on the rotational transmission between solid-state gears

• Huang-Hsiang Lin,
• Jonathan Heinze,
• Alexander Croy,
• Rafael Gutiérrez and
• Gianaurelio Cuniberti

Beilstein J. Nanotechnol. 2022, 13, 54–62, doi:10.3762/bjnano.13.3

• (green) and benzene/phenantrene (red/yellow). This is because, unlike benzene and phenantrene, hexadecene has sp3 hybridization, which results in a larger monolayer thickness. These important findings imply that lubricants at the nanoscale can be used to synchronize both gears and make the collective

Sputtering onto liquids: a critical review

• Anastasiya Sergievskaya,
• Adrien Chauvin and
• Stephanos Konstantinidis

Beilstein J. Nanotechnol. 2022, 13, 10–53, doi:10.3762/bjnano.13.2

Irradiation-driven molecular dynamics simulation of the FEBID process for Pt(PF₃)₄

• Alexey Prosvetov,
• Alexey V. Verkhovtsev,
• Gennady Sushko and
• Andrey V. Solov’yov

Beilstein J. Nanotechnol. 2021, 12, 1151–1172, doi:10.3762/bjnano.12.86

• nanostructures. In contrast to the earlier studies [13][15] we consider the case of low precursor surface coverage (below one monolayer), in which surface diffusion plays an important role in the formation of deposits. In particular, we focus on the atomistic characterization of the initial stage of the FEBID

• chamber. Depending on the experimental conditions (temperature, precursor gas pressure, geometry, and position of the gas inlet), precursor molecules adsorb on the substrate surface and form a thin (from sub-monolayer to several monolayer thickness) film. An explicit evaluation of adsorption and

• moving in space. In this study a sub-monolayer of Pt(PF3)4 with the size of 20 nm × 20 nm is optimized, adsorbed on a SiO2-H substrate and thermalized at 300 K for 0.1 ns using the Langevin thermostat with a damping time of 0.2 ps. The constructed layer consists of approximately 370 molecules that

Molecular assemblies on surfaces: towards physical and electronic decoupling of organic molecules

• Sabine Maier and
• Meike Stöhr

Beilstein J. Nanotechnol. 2021, 12, 950–956, doi:10.3762/bjnano.12.71

• otherwise only achieved for multilayers on the bare Ni. On hBN/Cu(111), Zimmermann et al. [87] could visualize the molecular orbitals of pyrene derivatives by STM at the submolecular level, while Brülke et al. [88] measured the fluorescence of monolayer perylenetetracarboxylic dianhydride (PTCDA), which is

Effects of temperature and repeat layer spacing on mechanical properties of graphene/polycrystalline copper nanolaminated composites under shear loading

• Chia-Wei Huang,
• Man-Ping Chang and
• Te-Hua Fang

Beilstein J. Nanotechnol. 2021, 12, 863–877, doi:10.3762/bjnano.12.65

• [001] along the x-, y-, and z-directions, respectively. According to a previous report, the C–C bond length in the graphene monolayer was set to 0.143 nm [34], as shown in Figure 2. The simulations were carried out using the large-scale atomic/molecular mass parallel simulator (LAMMPS), with a time

Comprehensive review on ultrasound-responsive theranostic nanomaterials: mechanisms, structures and medical applications

• Sepand Tehrani Fateh,
• Lida Moradi,
• Elmira Kohan,
• Michael R. Hamblin and
• Amin Shiralizadeh Dezfuli

Beilstein J. Nanotechnol. 2021, 12, 808–862, doi:10.3762/bjnano.12.64

Silver nanoparticles induce the cardiomyogenic differentiation of bone marrow derived mesenchymal stem cells via telomere length extension

• Khosro Adibkia,
• Ali Ehsani,
• Asma Jodaei,
• Ezzatollah Fathi,
• Raheleh Farahzadi and
• Mohammad Barzegar-Jalali

Beilstein J. Nanotechnol. 2021, 12, 786–797, doi:10.3762/bjnano.12.62

• environment with 5% CO2 to grow the cells in a monolayer. The medium was refreshed every three days in each of the experiments. Treatment of BM-MSCs with Ag-NPs Polyvinylpyrrolidone-coated Ag-NPs were purchased from Iranian nanomaterials pioneers (Mashhad City, Khorasan, Iran). The hydrodynamic diameter of

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