Characterization of the microscopic tribological properties of sandfish (Scincus scincus) scales by atomic force microscopy

• Weibin Wu,
• Christian Lutz,
• Simon Mersch,
• Richard Thelen,
• Christian Greiner,
• Guillaume Gomard and
• Hendrik Hölscher

Beilstein J. Nanotechnol. 2018, 9, 2618–2627, doi:10.3762/bjnano.9.243

• sand swimming. Reviewing literature and our recent results it now seems likely that the dynamics of the sandfish locomotion as well as the elastic properties of the epidermis are important factors and not exceptional low friction and wear of the scales alone. Consequently, it will be important to

• consider not only scales but also the tissue underneath the epidermis as well as the dynamics of the swimming sandfish. Such experiments might hold the key for understanding the fabulous swimming abilities combined with low wear rates. It is possible that sandfish scales are not primarily designed to lower

• friction (a friction coefficient of 0.2 is comparably low for a dry sliding contact already) but to reduce wear in combination with the specific dynamics of sandfish. The latter is a significant technological challenge with high industrial impact that might lead to new robots which could swim through

Pattern generation for direct-write three-dimensional nanoscale structures via focused electron beam induced deposition

• Lukas Keller and
• Michael Huth

Beilstein J. Nanotechnol. 2018, 9, 2581–2598, doi:10.3762/bjnano.9.240

• pattern files for 3D FEBID depositions. Here, we present our approach to generating such a pattern-definition file using some general rules of precursor dynamics. The algorithms, reflecting successful writing strategies as discussed below, are implemented in C++ for speed, flexibility and independence

Friction reduction through biologically inspired scale-like laser surface textures

• Johannes Schneider,
• Vergil Djamiykov and
• Christian Greiner

Beilstein J. Nanotechnol. 2018, 9, 2561–2572, doi:10.3762/bjnano.9.238

• . In the case of lubricated contacts, we will also involve fluid dynamics modelling to understand and optimize the tribological behaviour of these surfaces. For dimpled surface morphologies, such simulations have recently been able to explain the beneficial effect of laser surface texturing [27][50

• elaborate fluid dynamics simulations. As far as the unlubricated experiments are concerned, the concept developed by Bowden and Tabor [51] points out that most frictional energy dissipation is due to plastic deformation of the subsurface layer. If one of the sliding partners is harder than the other, the

Surface energy of nanoparticles – influence of particle size and structure

• Dieter Vollath,
• Franz Dieter Fischer and
• David Holec

Beilstein J. Nanotechnol. 2018, 9, 2265–2276, doi:10.3762/bjnano.9.211

• particle size. Different approaches, such as classical thermodynamics calculations, molecular dynamics simulations, and ab initio calculations, exist to predict this quantity. Generally, considerations based on classical thermodynamics lead to the prediction of decreasing values of the surface energy with

• be expected by the formation of a disordered or quasi-liquid layer at the surface. The atomistic approach, based either on molecular dynamics simulations or ab initio calculations, generally leads to values with an opposite tendency. However, it is shown that this result is based on an insufficient

• particle size is found. The main conclusion of this work is that surface energy values for the equivalent bulk materials should be used if detailed data for nanoparticles are not available. Keywords: ab initio calculations; classical thermodynamics; molecular dynamics simulation; surface energy; surface

Lead-free hybrid perovskites for photovoltaics

• Oleksandr Stroyuk

Beilstein J. Nanotechnol. 2018, 9, 2209–2235, doi:10.3762/bjnano.9.207

• luminescent Cs3Bi2X9 NCs [159]. A study of single-crystal and polycrystalline MABI showed that both materials have a long exciton lifetime and a high carrier mobility [161][163]. A transient absorption study of MABI crystals showed only a minor change of the exciton dynamics when the crystal size was reduced

• similar Voc (0.895 V) was reported for a MABI-based cell produced without HTLs with a single carbon back contact [86]. In this case, a top light conversion efficiency was only 0.054% (Table 1), indicating the crucial role of the hole transfer dynamics for the total cell performance. The efficiency of MABI

Influence of the thickness of an antiferromagnetic IrMn layer on the static and dynamic magnetization of weakly coupled CoFeB/IrMn/CoFeB trilayers

• Deepika Jhajhria,
• Dinesh K. Pandya and
• Sujeet Chaudhary

Beilstein J. Nanotechnol. 2018, 9, 2198–2208, doi:10.3762/bjnano.9.206

• , AF-based spintronics is gaining momentum because of the unique properties such as zero net magnetization, no stray fields, low magnetic susceptibility, large spin–orbit coupling, ultrafast dynamics and large magneto-transport effects [2][3][4][5][6]. Several of the effects such as tunnel anisotropic

• sample magnetometer (VSM) option. The magnetization dynamics of the films was studied using a broadband (5–13 GHz) ferromagnetic resonance setup employing a vector network analyzer (VNA) and co-planar waveguide (CPW) transmission line. Since the output microwave power of the VNA was set to 0 dBm, the

• amplitude of magnetization precession is small, which results in a nearly linear FMR response and thus the complicated non-linear magnetization dynamics is less likely in the films. The samples were mounted with the deposited film side directly facing down on to the CPW. The FMR spectra were recorded by

Metal-free catalysis based on nitrogen-doped carbon nanomaterials: a photoelectron spectroscopy point of view

• Mattia Scardamaglia and
• Carla Bittencourt

Beilstein J. Nanotechnol. 2018, 9, 2015–2031, doi:10.3762/bjnano.9.191

• molecular dynamics combined with analytical potential and density functional theory methods, Lehtinen et al. reported on the influence of the ion kinetic energy and mass on the probability of defect formation during irradiation of suspended graphene sheets and single-walled CNTs [86]. Being proportional to

• dynamics: (d) simulation setup. (e, h) Probability for the formation of single and double vacancies as a function of the ion energy. The insets show the atomic structures of the reconstructed vacancies. (f) Average area of defects as a function of the ion energy. The areas corresponding to single vacancies

Recent highlights in nanoscale and mesoscale friction

• Andrea Vanossi,
• Dirk Dietzel,
• Andre Schirmeisen,
• Ernst Meyer,
• Rémy Pawlak,
• Thilo Glatzel,
• Marcin Kisiel,
• Shigeki Kawai and
• Nicola Manini

Beilstein J. Nanotechnol. 2018, 9, 1995–2014, doi:10.3762/bjnano.9.190

• mechanisms of structural lubricity. This crucial importance of the edge was also demonstrated by molecular dynamics (MD) simulations for Kr islands adsorbed on Pb(111). Here, depending on size and shape of the islands, the edge generates a barrier for the unpinning and successive advancement of the edge

• sliding nanostructures. A first indication stems from nanomanipulation experiments performed for Sb nanoparticles on HOPG, where distinct contact-ageing effects were demonstrated. By characterizing the ageing dynamics as a function of the temperature, of the sliding velocity, and of the hold time in

• statically pinned state to an intermittent stick–slip dynamics to a sliding regime (possibly characterized by superlubric motion) has not been explicitly carried out. Recently, thanks to state-of-the-art experimental setups [82][148][149][150], artificial tribology emulators have taken friction experiments

Electromigrated electrical optical antennas for transducing electrons and photons at the nanoscale

• Arindam Dasgupta,
• Mickaël Buret,
• Nicolas Cazier,
• Marie-Maxime Mennemanteuil,
• Reinaldo Chacon,
• Kamal Hammani,
• Jean-Claude Weeber,
• Juan Arocas,
• Laurent Markey,
• Gérard Colas des Francs,
• Alexander Uskov,
• Igor Smetanin and
• Alexandre Bouhelier

Beilstein J. Nanotechnol. 2018, 9, 1964–1976, doi:10.3762/bjnano.9.187

• thermal radiation of an out-of-equilibrium heated electron distribution, which is promoted by the electron–electron interaction dynamics. Both light-emission mechanisms may be observed in the electromigrated junctions discussed in the previous section as illustrated in Figure 5. Prevalence of inelastic

Defect formation in multiwalled carbon nanotubes under low-energy He and Ne ion irradiation

• Santhana Eswara,
• Jean-Nicolas Audinot,
• Brahime El Adib,
• Maël Guennou,
• Tom Wirtz and
• Patrick Philipp

Beilstein J. Nanotechnol. 2018, 9, 1951–1963, doi:10.3762/bjnano.9.186

• improved mechanical properties which is similar to the one of collagen found in nature [7]. Vacancy formation and interconnections forming between CNTs have also been observed in molecular dynamics (MD) simulations during the irradiation of SWCNTs supported by silica [8]. MD simulations have been used to

• found in experiments. Molecular dynamics (MD) simulations would be able to provide an atomistic description of the sputter processes, which has already been done for several systems [48], however experimental fluences are beyond their possibilities. BCA-based simulations have already been used for the

The inhibition effect of water on the purification of natural gas with nanoporous graphene membranes

• Krzysztof Nieszporek,
• Tomasz Pańczyk and
• Jolanta Nieszporek

Beilstein J. Nanotechnol. 2018, 9, 1906–1916, doi:10.3762/bjnano.9.182

• Department of Analytical Chemistry and Instrumental Analysis, Maria Curie-Sklodowska University, M. C. Sklodowska sq. 3, 20-031 Lublin, Poland 10.3762/bjnano.9.182 Abstract Molecular dynamics simulations are used to investigate the inhibiting effect of water on the natural gas separation with nanoporous

• ; hydrogen bonds; molecular dynamics; separation; Introduction Modern separation techniques require energy-efficient and environmentally friendly solutions. Very promising, but not yet widely considered to be practical, is the utilization of nanochemistry achievements. An example would be the utilization of

• hydrated ions and liquid water with porous graphene [12]. Sun et al. [7] studied the purification of natural gas using nanoporous graphene with the help of classical molecular dynamics. Similarly to most papers that deal with the application of nanoporous graphene, they demonstrated that the efficiency of

Quantitative comparison of wideband low-latency phase-locked loop circuit designs for high-speed frequency modulation atomic force microscopy

• Kazuki Miyata and
• Takeshi Fukuma

Beilstein J. Nanotechnol. 2018, 9, 1844–1855, doi:10.3762/bjnano.9.176

• ], we discussed the origin of this region in detail. By comparing the AFM images with the molecular dynamics simulation results, we proposed that the transition region is most likely to be a Ca(OH)2 layer. In this study, this transition region was newly observed by direct imaging using high-speed FM-AFM

Numerical analysis of single-point spectroscopy curves used in photo-carrier dynamics measurements by Kelvin probe force microscopy under frequency-modulated excitation

• Pablo A. Fernández Garrillo,
• Benjamin Grévin and
• Łukasz Borowik

Beilstein J. Nanotechnol. 2018, 9, 1834–1843, doi:10.3762/bjnano.9.175

• nanostructure and photo-transport mechanisms has become of crucial importance for the development of many emerging photovoltaic technologies. In this context, Kelvin probe force microscopy under frequency-modulated excitation has emerged as a useful technique for probing photo-carrier dynamics and gaining

• experimental results as additional information about the photo-carrier dynamics of the sample can be gained via the numerical analysis. Keywords: carrier dynamics; carrier lifetime; carrier recombination; Kelvin probe force microscopy; nanostructured photovoltaics; numerical simulations; photo-carrier

• dynamics; Introduction In the past decade, the nanoscale investigation of materials properties has captured the attention of the scientific community, partially due to its crucial importance in the improvement of photovoltaic devices [1][2]. Carrier lifetime, or more broadly speaking, photo-carrier

Preparation of micro/nanopatterned gelatins crosslinked with genipin for biocompatible dental implants

• Reika Makita,
• Tsukasa Akasaka,
• Seiichi Tamagawa,
• Yasuhiro Yoshida,
• Saori Miyata,
• Hirofumi Miyaji and
• Tsutomu Sugaya

Beilstein J. Nanotechnol. 2018, 9, 1735–1754, doi:10.3762/bjnano.9.165

• involving surface chemistry, scaffold softness, and cell dynamics, compared to simple changes in surface patterns. Further comparative data studying cell behavior on several different types of collagen/gelatin patterns are required. Experimental Preparation of gelatin patterns Cyclo-olefin (COP) or silicone

Multimodal noncontact atomic force microscopy and Kelvin probe force microscopy investigations of organolead tribromide perovskite single crystals

• Yann Almadori,
• David Moerman,
• Jaume Llacer Martinez,
• Philippe Leclère and
• Benjamin Grévin

Beilstein J. Nanotechnol. 2018, 9, 1695–1704, doi:10.3762/bjnano.9.161

• photocarrier lifetime is quantified by performing KPFM measurements under frequency-modulated illumination. Our multimodal approach provides a unique way to investigate the interplay between the charges and ionic species, the photocarrier-lattice coupling and the photocarrier dynamics in hybrid perovskites

• performing KPFM measurements under frequency-modulated illumination. These results establish that nc-AFM/KPFM can be effectively used to investigate both the photocarrier dynamics and the photon–lattice coupling in organic–inorganic hybrid perovskites. Methods Sample preparation Methylammonium lead

• the dependency of the average potential with respect to the modulation frequency, it is possible to extract time constants characterizing the photopotential decay dynamics between the light pulses. More information about KPFM operations under frequency-modulated illumination (FMI-KPFM) can be found in

Josephson effect in junctions of conventional and topological superconductors

• Alex Zazunov,
• Albert Iks,
• Miguel Alvarado,
• Alfredo Levy Yeyati and
• Reinhold Egger

Beilstein J. Nanotechnol. 2018, 9, 1659–1676, doi:10.3762/bjnano.9.158

• that Λ is real-valued and does not depend on . Due to the constraint (Equation 8) on the dot occupation, the last two terms in Equation 10 do not contribute to the system dynamics and we obtain A formally exact expression for the partition function is then given by where with in Equation 9 and the

• dimensionless parameter From Equation 6 and Equation 7, the bGF matrix elements needed in Equation 19 follow as Now |g12(τ)| is exponentially small unless Δ|τ| < 1. In particular, g12(τ) → −δ(τ) for Δ → ∞. Moreover, for B Δ with B ≡ |B|, the magnetic impurity (S) dynamics will be slow on time scales of the

• represents the largest energy scale of interest and hence the dynamics is confined to the subgap region. In this case, we can approximate . After the rescaling in Equation 43, we arrive at an effective action, Seff → Sat, valid in the atomic limit, where is the reflection amplitude of the SAC, see Equation

Free-radical gases on two-dimensional transition-metal disulfides (XS₂, X = Mo/W): robust half-metallicity for efficient nitrogen oxide sensors

• Chunmei Zhang,
• Yalong Jiao,
• Fengxian Ma,
• Sri Kasi Matta,
• Steven Bottle and
• Aijun Du

Beilstein J. Nanotechnol. 2018, 9, 1641–1646, doi:10.3762/bjnano.9.156

• meV and 3 Å, suggesting that water is physically adsorbed on the surface of the WS2 nanosheet. Monolayer MoS2 [38] and multilayer MoS2 field effect transistors [17] for sensing NO at room temperature have been fabricated experimentally. In this work, the ab initio molecular dynamics simulations at

Nanoscale electrochemical response of lithium-ion cathodes: a combined study using C-AFM and SIMS

• Jonathan Op de Beeck,
• Nouha Labyedh,
• Alfonso Sepúlveda,
• Valentina Spampinato,
• Alexis Franquet,
• Thierry Conard,
• Philippe M. Vereecken,
• Wilfried Vandervorst and
• Umberto Celano

Beilstein J. Nanotechnol. 2018, 9, 1623–1628, doi:10.3762/bjnano.9.154

• ionic dynamics such as the observation of motion of ions in mixed ionic–electronic conductors using the electrical current sensed by the AFM tip [6]. However, these techniques all probe the electrical, structural or ionic properties of the film and do not provide any direct information on the local

Nanocomposites comprised of homogeneously dispersed magnetic iron-oxide nanoparticles and poly(methyl methacrylate)

• Sašo Gyergyek,
• David Pahovnik,
• Ema Žagar,
• Alenka Mertelj,
• Rok Kostanjšek,
• Miloš Beković,
• Marko Jagodič,
• Heinrich Hofmann and
• Darko Makovec

Beilstein J. Nanotechnol. 2018, 9, 1613–1622, doi:10.3762/bjnano.9.153

• nanoparticles. Additionally, the sPMMA sample was measured. In this case the signal was weak so the autocorrelation function was acquired at a low angle, i.e., at a small scattering vector that makes it possible to probe the fast dynamics of small polymer chains. The resulting distribution function of the

Interaction-tailored organization of large-area colloidal assemblies

• Silvia Rizzato,
• Elisabetta Primiceri,
• Anna Grazia Monteduro,
• Adriano Colombelli,
• Angelo Leo,
• Maria Grazia Manera,
• Roberto Rella and
• Giuseppe Maruccio

Beilstein J. Nanotechnol. 2018, 9, 1582–1593, doi:10.3762/bjnano.9.150

• accommodated in the assembly once the maximum packing limit is obtained The nanosphere template formation can be better understood if we analyze the dynamics of the assembly process in its three phases more in depth. In the first 3D assembly phase, when the substrate is totally immersed in the nanosphere

Photoluminescence of CdSe/ZnS quantum dots in nematic liquid crystals in electric fields

• Margarita A. Kurochkina,
• Elena A. Konshina and
• Daria Khmelevskaia

Beilstein J. Nanotechnol. 2018, 9, 1544–1549, doi:10.3762/bjnano.9.145

• spectroscopy is a quantitative tool for the analysis of the dynamics of photoexcitation in colloidal semiconductor quantum dots [23]. The decay time in the active LC matrix increases by a factor of 3.4 and then begins to decrease with the reorientation of LC molecules to a vertical position due to the increase

Absence of free carriers in silicon nanocrystals grown from phosphorus- and boron-doped silicon-rich oxide and oxynitride

• Daniel Hiller,
• Julian López-Vidrier,
• Keita Nomoto,
• Michael Wahl,
• Wolfgang Bock,
• Tomáš Chlouba,
• František Trojánek,
• Sebastian Gutsch,
• Margit Zacharias,
• Dirk König,
• Petr Malý and
• Michael Kopnarski

Beilstein J. Nanotechnol. 2018, 9, 1501–1511, doi:10.3762/bjnano.9.141

• electron microscope. PL was measured using a LN2-cooled CCD camera attached to a single grating monochromator with excitation of a HeCd laser (325 nm line). Low-temperature PL spectra were measured from 5 to 300 K using a single-window continuous-flow liquid-He cryostat. TT-dynamics were measured in a

• different samples. In Figure 5 we report the transient transmission dynamics of samples with 4.5 nm Si NCs made of (a) SRON:P with 0.71 atom % P and (b) SRO:B with 1.32 atom % B, i.e., samples with substantial incorporation of dopant atoms and significant PL quenching. For this measurement the excitation

• SRO:B accelerated TT-dynamics exist. When fitting the curves, best results are obtained for a two-exponential fit where the fast component τ1 ≈ 0.5 … 1.5 ps for all samples is attributed to ultrafast carrier trapping and thermalization events. The long component τ2 is associated with the actual Auger

Excitation of nonradiating magnetic anapole states with azimuthally polarized vector beams

• Aristeidis G. Lamprianidis and
• Andrey E. Miroshnichenko

Beilstein J. Nanotechnol. 2018, 9, 1478–1490, doi:10.3762/bjnano.9.139

• , acting on the input vector of the system, instead of acting upon the inner dynamics of the system, i.e., its transfer function, the geometry of the particle, is an alternative way of designing the output of the system, i.e., the scattering response of the particle. The T-matrix method reveals the inner

• dynamics of the scattering system. By determining the multipolar content of the field scattered by the particle one has immediate knowledge of its far-field radiation pattern as well. This means that one readily knows its behavior as a nanoantenna. Hence, apart from being useful for analytical purposes, it

Atomic-level characterization and cilostazol affinity of poly(lactic acid) nanoparticles conjugated with differentially charged hydrophilic molecules

• María Francisca Matus,
• Martín Ludueña,
• Cristian Vilos,
• Iván Palomo and
• Marcelo M. Mariscal

Beilstein J. Nanotechnol. 2018, 9, 1328–1338, doi:10.3762/bjnano.9.126

• suggest that the combination of molecular dynamics ReaxFF simulations and blind docking techniques can be used as an explorative tool prior to experiments, which is useful for rational design of new drug delivery systems. Keywords: drug delivery; PEGylated nanoparticle; PLA; polymeric nanoparticle

• descriptions using computational methodologies still are not totally addressed. Wang et al. [30] carried out dissipative particle dynamics (DPD) simulations to study the PEG–PLA–PEG/paclitaxel delivery system. The results showed a spherical micelle with the drug inside and polymer chains distributed on the

• , cilostazol [32][33]. PEG chains typically create an interface between the NP core (PLA) and the hydrophilic environment, where the drug encapsulation is largely dependent on the intrinsic affinity between the drug and the PLA core [31]. All-atom molecular dynamics (MD) simulations were performed using the

Induced smectic phase in binary mixtures of twist-bend nematogens

• Anamarija Knežević,
• Irena Dokli,
• Marin Sapunar,
• Suzana Šegota,
• Ute Baumeister and
• Andreja Lesac

Beilstein J. Nanotechnol. 2018, 9, 1297–1307, doi:10.3762/bjnano.9.122

• investigate how conformational disorder of terminal chains might affect induction of the smectic phase we performed a molecular dynamics simulation of BB at 80 K with a time step of 1 fs for a total duration of 10 ps using the Turbomole program package [48] at the PBE/def2-TZVP level of theory using the RI

• approximation [49]. The dynamics were performed in the molecular frame, the centre of mass of the molecule was kept at the origin of the coordinate system and the molecule was rotated to satisfy the Eckart conditions. The geometry of the entire molecule was varied during the simulation, and discrete conformers

• were sampled every 0.2 ps from the dynamics. The sampled geometries are shown in Figure 9a. The snapshots are aligned to maximize the overlap of the benzene ring of each geometry. In this way, the motion of the alkyl chain during the dynamics can be seen clearly. Both the all-trans conformer and