Investigating structural and electronic properties of neutral zinc clusters: a G₀W₀ and G₀W₀Г₀⁽¹⁾ benchmark

• Sunila Bakhsh,
• Muhammad Khalid,
• Sameen Aslam,
• Muhammad Sohail,
• Muhammad Aamir Iqbal,
• Mujtaba Ikram and
• Kareem Morsy

Beilstein J. Nanotechnol. 2024, 15, 310–316, doi:10.3762/bjnano.15.28

• the dimer is 0.034 eV, the same as the experimental binding energy. It should be noted that the lower binding energy of zinc dimers is mainly due to the weak vdW bonding effects [6][8]. Figure 2 shows that the binding energies increase swiftly up to a cluster size of n = 4. For further increase in the

Recognition mechanisms of hemoglobin particles by monocytes – CD163 may just be one

• Jonathan-Gabriel Nimz,
• Pichayut Rerkshanandana,
• Chiraphat Kloypan,
• Ulrich Kalus,
• Saranya Chaiwaree,
• Axel Pruß,
• Radostina Georgieva,
• Yu Xiong and
• Hans Bäumler

Beilstein J. Nanotechnol. 2023, 14, 1028–1040, doi:10.3762/bjnano.14.85

• during development, namely nitrogen monoxide scavenging and associated hypertensive crises, massive renal damage due to tubular reabsorption of hemoglobin (Hb), decay into dimers [8][9][10][11][12][13], and oxidative stress [14][15]. Various approaches of intra- as well as intermolecular modifications of

Two-dimensional molecular networks at the solid/liquid interface and the role of alkyl chains in their building blocks

• Suyi Liu,
• Yasuo Norikane and
• Yoshihiro Kikkawa

Beilstein J. Nanotechnol. 2023, 14, 872–892, doi:10.3762/bjnano.14.72

• structural differences were proposed to be introduced by homogeneous (CCn–CCn) and heterogeneous (OCn–CCn) dimers formed via interdigitation of alkyl chains. When the blend ratio was OCn > CCn, heterogeneous dimers of OCn–CCn constructed the 2D structures (star-like and twist-like structures). When OCn < CCn

• , the mixture of homogeneous (CCn–CCn) and heterogeneous (OCn–CCn) dimers formed lozenge and linear structures. Thus, the proportion of these interdigitated dimers determines the 2D structure of the blend system. 6 Chirality The chiral information of alkyl chain units can be transferred to

• (CC15–CC15) and heterogeneous (OC15F–CC15) dimers were clearly ascertained. This identification by STM and DFT calculations enabled the authors to propose a mechanism for a 2D structural diversification of the bicomponent blend. 7.3 Alkyl chains of solvent molecules Co-adsorption of the solvent can

Ultralow-energy amorphization of contaminated silicon samples investigated by molecular dynamics

• Grégoire R. N. Defoort-Levkov,
• Alan Bahm and
• Patrick Philipp

Beilstein J. Nanotechnol. 2023, 14, 834–849, doi:10.3762/bjnano.14.68

• Å are due to the dimers formed at the bottom surface of the sample during the equilibration process. Evolution of the thickness of (a) the amorphous region and (b) the partially amorphous region for each energy with respect to the angle. The Y axis measures the thickness in percentage of the initial

Cyclodextrins as eminent constituents in nanoarchitectonics for drug delivery systems

• Makoto Komiyama

Beilstein J. Nanotechnol. 2023, 14, 218–232, doi:10.3762/bjnano.14.21

• content is not subject to CC BY 4.0. PDT by nanoparticles formed from β-CyD dimers (CD2), porphyrin conjugated with two adamantine molecules (TPP-Ad2), and poly(ethylene glycol) bearing an adamantane moiety. Adapted with permission from [74]. Copyright 2020 American Chemical Society. This content is not

Solvent-induced assembly of mono- and divalent silica nanoparticles

• Bin Liu,
• Etienne Duguet and
• Serge Ravaine

Beilstein J. Nanotechnol. 2023, 14, 52–60, doi:10.3762/bjnano.14.6

• patch made of grafted polystyrene chains. The multistage synthesis allows for a fine control of the patch-to-particle size ratio from 0.23 to 0.57. The assembly of the patchy nanoparticles can be triggered by reducing the solvent quality for the polystyrene chains. Dimers or trimers can be obtained by

• -controlled patch-to-particle size ratio (PPSR) into dimers, trimers, tetramers, and spherical micelles at a low incubation time in mixtures of tetrahydrofuran (THF) and ethanol [32]. Here, we extend the study to 1-PSN with smaller PPSR values and to the use of another poor solvent for the PS patch (i.e

• ., salty water). We show that only dimers or trimers can be obtained due to steric hindrance induced by the large silica cap of the patchy nanoparticles. The present study also extends the insights we recently gained about the capability of using 1-PSN with a PPSR of 0.60 as chain stoppers [31]. We show

Influence of water contamination on the sputtering of silicon with low-energy argon ions investigated by molecular dynamics simulations

• Grégoire R. N. Defoort-Levkov,
• Alan Bahm and
• Patrick Philipp

Beilstein J. Nanotechnol. 2022, 13, 986–1003, doi:10.3762/bjnano.13.86

• using the Stillinger–Weber potential to obtain the dimers formed on the Si(100) surface [21][54], with a time step of 0.1 fs for 1 ns. Some snapshots of the dimers on the surface can be found in the Figure 2. The equilibration was pursued with the ReaxFF potential for another 500 ps in the same

• diamond lattice is 2.358 Å. Figure 4 shows the distributions for both samples before ion bombardment. For the Si–Si bonds, the most probable bond length is at the correct length, but a significant number of bonds are in the 2.1 Å region. This can be explained by dimers appearing on top and bottom surfaces

• which have a nominal bond length (for Si dimers) of 2.1 Å. The distribution for the contaminated sample shows two additional regions: the region between 0 and 2 Å and the region between 2.6 and 3.3 Å. The smallest bond length around 1 Å is due to O–H bonds [61] in water molecules. The second peak

Bioselectivity of silk protein-based materials and their bio-inspired applications

• Hendrik Bargel,
• Vanessa T. Trossmann,
• Christoph Sommer and
• Thomas Scheibel

Beilstein J. Nanotechnol. 2022, 13, 902–921, doi:10.3762/bjnano.13.81

• formation in the nervous system [9]. The structural integrity of cadherin molecules is stabilized by calcium ions, and their essential role in proper adhesion contacts is reflected in the abbreviated protein family name “calcium-dependent adherent proteins” [14]. The N-terminal domain of cadherin dimers on

Investigation of electron-induced cross-linking of self-assembled monolayers by scanning tunneling microscopy

• Patrick Stohmann,
• Sascha Koch,
• Yang Yang,
• Christopher David Kaiser,
• Julian Ehrens,
• Jürgen Schnack,
• Niklas Biere,
• Dario Anselmetti,
• Armin Gölzhäuser and
• Xianghui Zhang

Beilstein J. Nanotechnol. 2022, 13, 462–471, doi:10.3762/bjnano.13.39

• , consist of almost exclusively dimers and, to a much lesser extent, trimers. An area fraction of 30% results in areas with up to ten monomers. The comparison reveals inconsistencies between the STM data and the step-growth kinetics. Therefore, we look into the chain-growth scenario, in which a radical

Topographic signatures and manipulations of Fe atoms, CO molecules and NaCl islands on superconducting Pb(111)

• Carl Drechsel,
• Philipp D’Astolfo,
• Jung-Ching Liu,
• Thilo Glatzel,
• Rémy Pawlak and
• Ernst Meyer

Beilstein J. Nanotechnol. 2022, 13, 1–9, doi:10.3762/bjnano.13.1

• , the CO adsorption on Pb(110) shows strong similarities with CO adsorbed on Cu(110) [58] and Cu(110)-(2 × 1)O [57][59]. In these works, CO assembled for low coverage and low temperature as monomers, dimers and occasionally trimers in agreement with our data, while longer chain configurations were

• trenches of the Pb(110) surface. For the trimer (T), the mutual interaction of the interior CO molecules might cause a slight mismatch with the Pb(110) layer, which explains the small deviation from the perpendicular alignment of the dimers. For longer CO aggregates, this deviation becomes even more

• as a fingerprint for mostly Fe monomers, dimers and trimers, respectively (denoted as Fe1, Fe2 and Fe3, respectively, in the following). Note that we also do not exclude that few Fe adatoms are hydrogenated [64][65]. To confirm this assumption, we laterally manipulated single Fe adatoms with the STM

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

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

• hollow, which cause less distortion on the defective ML compared to the pristine ML. The exception to this is the line configuration at the hollow site (Figure 11F). Here, two Ru2 dimers are formed, with a S atom bridging between them, creating a Ru4S structure and an additional vacancy in the ML. This

• binds to pristine MoS2 with energies ranging from −0.8 to −1.3 eV. The adsorption energy of a Co atom ranges between −4.2 and −5.8 eV, while the adsorption energy of a Ru atom ranges between −2.5 and −3.9 eV. For metal atoms and dimers, the stability of Cu and Ru adsorption is governed by the adsorption

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

• decay of the plasmonic near field. Hence, a nanopatterning approach that is able to realize sub-10 nm gaps in a reproducible manner is highly desired. He ion beam milling already demonstrated these capabilities in the fabrication of strongly coupled dimers with gap distances of less than 6 nm [62][63

The role of gold atom concentration in the formation of Cu–Au nanoparticles from the gas phase

• Yuri Ya. Gafner,
• Svetlana L. Gafner,
• Darya A. Ryzkova and
• Andrey V. Nomoev

Beilstein J. Nanotechnol. 2021, 12, 72–81, doi:10.3762/bjnano.12.6

• atoms (N = 44), dimers (N = 219), trimers (N = 71), and cluster fragments of a very small size (i.e., consisting of 4–10 atoms, N = 134), which were simply impossible to see on the HRTEM images [3]. Therefore, for convenience, small cluster fragments with sizes of up to 15 atoms were not shown in Figure

Nanocasting synthesis of BiFeO₃ nanoparticles with enhanced visible-light photocatalytic activity

• Thomas Cadenbach,
• Maria J. Benitez,
• A. Lucia Morales,
• Cesar Costa Vera,
• Luis Lascano,
• Francisco Quiroz,
• Alexis Debut and
• Karla Vizuete

Beilstein J. Nanotechnol. 2020, 11, 1822–1833, doi:10.3762/bjnano.11.164

• catalyst surfaces are negatively charged, which leads to a repulsion of the negatively charged carboxylate functional groups of the dye molecule [51][54][59]. In addition, due to electrostatic interactions, RhB dimers are formed, which affects the charge density throughout the molecule and possibly leads

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

• Figure 4b). These dimers formed rows, where one N atom of each unit was oriented towards the pyrene core of a neighboring dimer. This noncovalent interaction was described by the distance d1 (0.28 ± 0.05 nm, inset of Figure 4b). Multiple rows, aligned in parallel, with a well-defined registry

Atomic defect classification of the H–Si(100) surface through multi-mode scanning probe microscopy

• Jeremiah Croshaw,
• Thomas Dienel,
• Taleana Huff and
• Robert Wolkow

Beilstein J. Nanotechnol. 2020, 11, 1346–1360, doi:10.3762/bjnano.11.119

• dimers are formed, which run parallel along the surface. The study of Si(100) surface defects was one of the first applications of scanning probe microscopy [14]. The three observed species were identified as a missing silicon dimer, a pair of missing silicon dimers, and a missing pair of Si atoms on the

• same side of two neighbouring dimers. Subsequently, the latter had been reassigned as an H, OH pair originating from dissociative attachment of a residual water molecule in the vacuum system [15][16][17]. Further insights became available by non-contact atomic force microscopy (nc-AFM), separating the

• combination of the previous two, consisting of alternating 2 × 1 dimers and 1 × 1 dihydrides [21][22]. With continued study, it became apparent that the complexity of possible surface reconstructions and surface defects extended well beyond those initially observed. Here, we provide a comprehensive overview

Growth of a self-assembled monolayer decoupled from the substrate: nucleation on-command using buffer layers

• Robby Reynaerts,
• Kunal S. Mali and
• Steven De Feyter

Beilstein J. Nanotechnol. 2020, 11, 1291–1302, doi:10.3762/bjnano.11.113

• networks of BA-OC14 consist of a dense arrangement of hydrogen bonded dimers wherein the molecular columns show periodic kinks along the column axis after every three dimers. The origin of this relatively complex packing was thought to be the specific registry of the alkoxy chains with the substrate

• lattice that does not allow parallel and straight row packing of dimers due to the steric hindrance of the bulky phenyl groups. The result is a tilted arrangement of the BA-OC14 dimers that show periodic kinks that were thought to arise to maintain the specific registry with the substrate lattice [45

• structure consists of bright blobs corresponding to the benzene rings flanked on either side by relatively darker regions which arise due to the tetradecyloxy chains. The benzene rings always appear in pairs indicating formation of hydrogen bonded dimers. Each lamella shows regular kinks along the lamella

Atomic-resolution imaging of rutile TiO₂(110)-(1 × 2) reconstructed surface by non-contact atomic force microscopy

• Daiki Katsube,
• Shoki Ojima,
• Eiichi Inami and
• Masayuki Abe

Beilstein J. Nanotechnol. 2020, 11, 443–449, doi:10.3762/bjnano.11.35

• . There is a case in which the tip apex asymmetry causes an unexpected local image pattern, i.e., dimers of the same height would be imaged at different heights due to the tip apex asymmetry. We obtained NC-AFM images with two types of asymmetric contrast for during repeated NC-AFM imaging. Two types of

Molecular architectonics of DNA for functional nanoarchitectures

• Debasis Ghosh,
• Lakshmi P. Datta and
• Thimmaiah Govindaraju

Beilstein J. Nanotechnol. 2020, 11, 124–140, doi:10.3762/bjnano.11.11

• acid (PNA) dimers (clamps) via WC and Hoogsteen base pairing interactions (Figure 6) [75]. The hydrogen bonding interactions, along with hydrophobic interactions, imparted by the nucleobases and the NDI core, facilitated the formation of versatile nano- and microarchitectures. The morphological

Hydrophilicity and carbon chain length effects on the gas sensing properties of chemoresistive, self-assembled monolayer carbon nanotube sensors

• Juan Casanova-Cháfer,
• Carla Bittencourt and
• Eduard Llobet

Beilstein J. Nanotechnol. 2019, 10, 565–577, doi:10.3762/bjnano.10.58

• effect. This would explain why hydrophilic SAMs with long carbon chains present lower response towards nitrogen dioxide in comparison to hydrophilic, short carbon chain SAMs. In addition, overlapped SAMs can result in the formation of carboxylic acid dimers [41], further decreasing sensitivity. On the

• presents higher response to ethanol vapors, while the other SAMs show similar responses with very little differences. The absence of carboxyl groups in hydrophobic thiols and the combined effects of steric hindrance and formation of carboxylic acid dimers in long-chain, hydrophilic thiols, as already

• nanoparticles, long-chain thiols collapse and overlap, generating a steric hindrance effect and favoring the formation of carboxylic acid dimers, which would explain the decreased sensitivity observed. In a second step, the effect of ambient moisture on the response towards nitrogen dioxide was studied. It was

Low cost tips for tip-enhanced Raman spectroscopy fabricated by two-step electrochemical etching of 125 µm diameter gold wires

• Antonino Foti,
• Francesco Barreca,
• Enza Fazio,
• Cristiano D’Andrea,
• Paolo Matteini,
• Onofrio Maria Maragò and
• Pietro Giuseppe Gucciardi

Beilstein J. Nanotechnol. 2018, 9, 2718–2729, doi:10.3762/bjnano.9.254

• tips are TERS-active, while 50% of the tips have a radius of curvature smaller than 35 nm. Light emission from the tip apex Tightly coupled plasmonic metals, such as nanorods dimers [51], nanocubes on surfaces [52], or TERS tips in contact with surfaces [53][54], emit light over a broad continuum, even

Size-selected Fe₃O₄–Au hybrid nanoparticles for improved magnetism-based theranostics

• Maria V. Efremova,
• Yulia A. Nalench,
• Eirini Myrovali,
• Anastasiia S. Garanina,
• Ivan S. Grebennikov,
• Polina K. Gifer,
• Maxim A. Abakumov,
• Marina Spasova,
• Makis Angelakeris,
• Alexander G. Savchenko,
• Michael Farle,
• Natalia L. Klyachko,
• Alexander G. Majouga and
• Ulf Wiedwald

Beilstein J. Nanotechnol. 2018, 9, 2684–2699, doi:10.3762/bjnano.9.251

• dimers (Fe3O4–Au [81] and Fe2O3–Au [82]), where the heating efficiency is optimized at diameters of about 23 nm, and SLP values up to 1330 ± 20 W·g−1 (300 kHz, 30 mT) are reported. This high SLP value, however, is questionable, since the heating curve of this sample provided in the supplementary

Silencing the second harmonic generation from plasmonic nanodimers: A comprehensive discussion

• Jérémy Butet,
• Gabriel D. Bernasconi and
• Olivier J. F. Martin

Beilstein J. Nanotechnol. 2018, 9, 2674–2683, doi:10.3762/bjnano.9.250

• report a comprehensive discussion of the SHG from gold dimers focusing on the implications of the silencing effect. The linear and second harmonic responses of the dimers have been computed using a surface integral equations method. The first dimers considered in this article are made of cylindrical

• nanorods with hemispherical extremities and various gap distances. In order to unveil the role of the silencing effect, computations of the SHG considering only the surface second harmonic sources on specific parts of the dimers are also presented. The meshes describing the dimers are then slightly

• deformed to mimic the presence of defects on the nanorod surfaces. Finally, gold dimers made of rectangular arms are considered. Numerical Methods The linear optical response was calculated using a surface integral formulation [23][24]. All the nanostructures are embedded in a homogeneous medium with

Non-agglomerated silicon–organic nanoparticles and their nanocomplexes with oligonucleotides: synthesis and properties

• Asya S. Levina,
• Marina N. Repkova,
• Nadezhda V. Shikina,
• Zinfer R. Ismagilov,
• Svetlana A. Yashnik,
• Dmitrii V. Semenov,
• Yulia I. Savinovskaya,
• Natalia A. Mazurkova,
• Inna A. Pyshnaya and
• Valentina F. Zarytova

Beilstein J. Nanotechnol. 2018, 9, 2516–2525, doi:10.3762/bjnano.9.234

• splitting of the absorption band at 1085 cm−1, which corresponds to asymmetric valence vibrations of the Si–O bond, into two bands at 1100 cm−1 and 1000 cm−1 is typical for polymer structures with Si–O–Si fragments and indicates the presence of at least dimers in the Si–NH2 nanoparticles. The bands at 3058

• value, as expected, became negative (Table 1). A rough estimation of the [–Si(OH)(C3H6NH2)O–] monomer volume based on the chemical bond lengths (≈0.4 nm3) allowed us to assume that the Si–NH2 nanoparticle (≈0.8 nm3) contains about two monomer units, i.e., dimers. The hydrodynamic diameter of the Si–NH2