Nanoscale friction and wear of a polymer coated with graphene

• Robin Vacher and
• Astrid S. de Wijn

Beilstein J. Nanotechnol. 2022, 13, 63–73, doi:10.3762/bjnano.13.4

• implemented in LAMMPS: The interaction between PVA and graphene is modelled using a Lennard-Jones 12-6 potential and the Lorentz–Berlot mixing rule, so that σ1 = 4.025 Å, and ε1 = 0.015066 eV. We model the interaction between the silicon tip and graphene using a Lennard-Jones 12-6 with the same parameters

• used by Li and co-workers [32]. ε = 0.092 eV is the depth potential, and σ2 = 3 Å is the distance at which the potential is equal to zero. In our system, the tip and polymer are never in direct contact. They are always separated by graphene. We therefore do not need to model their interactions. However

• by this mechanism, as it is harder to penetrate. Coarse grained model for polyvinyl alcohol (PVA, C2H4O)x). Red atoms are oxygen, dark gray are carbon, and light gray are hydrogen. One green circle represents one coarse-grained particle, which replaces the group of atoms C2H4O. Snapshot of the

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

• surface plays a leading role [79]. Two main models have been actively used to describe the formation of primary metal NPs, namely the La Mer model and the autocatalytic model [80]. Even though both models were proposed decades ago, the colloids community is still arguing which one is better [81][82][83

• the La Mer model was not built based on experimental observations about the formation of metal NPs. Basically, La Mer and co-workers applied classical nucleation theory (CNT; this abbreviation was widely used by colloidal chemists years before carbon nanotubes became a hot research topic) that was

• (but it can be achieved in the frame of other models). The readers interested in CNT and mathematical equations behind the La Mer model [86] are referred to the reviews in [80][83][85]. For almost 50 years, La Mer's pioneering mechanism was the only available mechanism that explained the formation of

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

• [60][61] but are attractive in their tilted configurations [57]. We think that a very similar mechanism might govern the CO adsorption of the Pb(110) surface, leading to the observed chain structures with very similar contrast. If we transfer this model to our measurements, the adsorption of the CO

• molecules might take place on top of the rows of the Pb(110) surface, as shown by the model in Figure 2d. For the dimer (D), the C atom is probably bonded to the Pb at the bridge sites of rows. The CO molecule is tilted similarly as on the Cu(110)-(2 × 1)O surface [57][59] and appears in STM above the

• lines of panel (b). (d) Sphere model of CO adsorbed on Pb(110). The CO molecules are standing up with protruding and tilted oxygen atoms (red, when tilted to the chain terminus; pink, when tilted to the center of the CO chain), white and dark gray spheres refers to the topmost and downmost Pb atoms of

Measurement of polarization effects in dual-phase ceria-based oxygen permeation membranes using Kelvin probe force microscopy

• Kerstin Neuhaus,
• Christina Schmidt,
• Liudmila Fischer,
• Wilhelm Albert Meulenberg,
• Ke Ran,
• Joachim Mayer and
• Stefan Baumann

Beilstein J. Nanotechnol. 2021, 12, 1380–1391, doi:10.3762/bjnano.12.102

• was used as a model to demonstrate that a combination of polarization relaxation measurements and Kelvin probe force microscopy (KPFM)-based mapping of the Volta potential before and after the end of polarization can be used to determine the chemical diffusion coefficient of the ceria component of the

• nanometers are located on the FC2O side as outlined by the dashed line. The enlarged interface structure in the lower-right inset shows a good agreement with the CoO and Fe3−xCoxO4 structural model, respectively. Electrical conductivity The sample composition with Sm instead of Gd used for this study shows a

Alteration of nanomechanical properties of pancreatic cancer cells through anticancer drug treatment revealed by atomic force microscopy

• Xiaoteng Liang,
• Shuai Liu,
• Xiuchao Wang,
• Dan Xia and
• Qiang Li

Beilstein J. Nanotechnol. 2021, 12, 1372–1379, doi:10.3762/bjnano.12.101

• cells of each type were measured for statistical analysis. The Hertz model is used in the calculation of cell mechanical properties. The force (F) exerted by the probe on the cell can be expressed by the following equation, where E is the Young’s modulus, ν is the poisson ratio, α is the half-opening

Polarity in cuticular ridge development and insect attachment on leaf surfaces of Schismatoglottis calyptrata (Araceae)

• Venkata A. Surapaneni,
• Tobias Aust,
• Thomas Speck and
• Marc Thielen

Beilstein J. Nanotechnol. 2021, 12, 1326–1338, doi:10.3762/bjnano.12.98

• ridge progression occurs basipetally with a specific inclination to the midrib on Schismatoglottis calyptrata leaves. Using Colorado potato beetles as model species, we performed traction experiments on freshly unrolled and adult leaves and found low walking frictional forces of insects on both of these

• and unroll during maturation, and thus, it is a worthwhile plant model to understand the development of cuticular ridges on the leaf surfaces with such varying macromorphology. Therefore, we have chosen S. calyptrata as a model plant in this study and tested the presence of polarity in the ridge

• forces on rough plant surfaces [8][9][23][27][28][29][30][31]. By performing traction experiments using Colorado potato beetles (Leptinotarsa decemlineata) as model insect species, we show that the walking frictional forces of insects are reduced as well on freshly unrolled as on adult leaf surfaces

Identifying diverse metal oxide nanomaterials with lethal effects on embryonic zebrafish using machine learning

• Richard Liam Marchese Robinson,
• Haralambos Sarimveis,
• Philip Doganis,
• Xiaodong Jia,
• Marianna Kotzabasaki,
• Christiana Gousiadou,
• Stacey Lynn Harper and
• Terry Wilkins

Beilstein J. Nanotechnol. 2021, 12, 1297–1325, doi:10.3762/bjnano.12.97

• explored, yet both failed to boost predictive performance. Interestingly, it was found that comparable results to those originally obtained using multiple descriptors could be obtained using a model based upon a single, simple descriptor: the Pauling electronegativity of the metal atom. Since it is widely

• these modelling results are on truly external data, which were not used to select the single descriptor model. This will require further laboratory work to generate comparable data to those studied herein. Keywords: data augmentation; embryonic zebrafish; machine learning; nanosafety; nano-QSAR

• ]. These approaches were a novel framework that is analogous to that of Kim et al. [35], as well as an approach closely linked to Cortes-Ciriano and co-workers [36]. Finally, we explored whether comparable modelling results could be obtained using a simple single descriptor model, in contrast to the multi

Cantilever signature of tip detachment during contact resonance AFM

• Devin Kalafut,
• Ryan Wagner,
• Maria Jose Cadena,
• Anil Bajaj and
• Arvind Raman

Beilstein J. Nanotechnol. 2021, 12, 1286–1296, doi:10.3762/bjnano.12.96

• simulations of the analytical model allow for extended insight into cantilever dynamics such as full-length deflection and slope behavior, which can be challenging or unobtainable in a standard equipment configuration. With such tools, we are able to determine the cantilever motion during detachment and

• first basis function. While NNM analysis in prior literature can be employed to investigate the transient dynamics settling to individual NNMs of the FPO, the FPO itself may be a useful tool in model order reduction for steady-state periodic orbit analysis to reduce a model from many degrees of freedom

• convert between photodiode voltage and cantilever slope. This provides a calibration parameter that remains valid in all measurement circumstances. Analytical model The core of the computational exploration is the partial differential equation (PDE) governing the dynamics of the AFM cantilever. At rest

Nonmonotonous temperature dependence of Shapiro steps in YBCO grain boundary junctions

• Leonid S. Revin,
• Dmitriy V. Masterov,
• Alexey E. Parafin,
• Sergey A. Pavlov and
• Andrey L. Pankratov

Beilstein J. Nanotechnol. 2021, 12, 1279–1285, doi:10.3762/bjnano.12.95

• are in agreement with the calculations based on the resistively–capacitively shunted junction model and Bessel theory. The emergence of the receiving optima is explained by the mutual influence of the varying critical current and the characteristic frequency. Keywords: characteristic frequency

• by the resistively–capacitively shunted-junction (RCSJ) model [25][26], especially for measurements obtained at high temperatures. However, taking into account the effect of the YBCO junction resistance thermal noise [16] makes it possible to neutralize this difference and obtain a good agreement

• discussed, and the measurement results are compared with the results of numerical calculations. Experimental Setup and Numerical Model The samples of grain boundary Josephson junctions were fabricated by on-axis dc magnetron sputtering [28][29][30][31] of YBa2Cu3O7−δ (YBCO) film on the surface of 24°[001

Electrical, electrochemical and structural studies of a chlorine-derived ionic liquid-based polymer gel electrolyte

• Ashish Gupta,
• Amrita Jain,
• Manju Kumari and
• Santosh K. Tripathi

Beilstein J. Nanotechnol. 2021, 12, 1252–1261, doi:10.3762/bjnano.12.92

• decrease. It can be clearly seen from the conductivity plot that relatively higher conductivity values of polymer gel electrolytes were obtained as compared to the liquid electrolyte, which can be explained on the basis of a breathing chain model proposed by Chandra et al. [35]. The decrease in

• values. In Figure 5, it can be clearly seen that the ionic conductivity increases with temperature, which can be understood in terms of the free volume model [10][38]. According to the free volume model, with a temperature increase the polymer can easily expand and produce free volume, which allows for

A review on slip boundary conditions at the nanoscale: recent development and applications

• Ruifei Wang,
• Jin Chai,
• Bobo Luo,
• Xiong Liu,
• Jianting Zhang,
• Min Wu,
• Mingdan Wei and
• Zhuanyue Ma

Beilstein J. Nanotechnol. 2021, 12, 1237–1251, doi:10.3762/bjnano.12.91

• transport model [16]. Moreover, increasing the slip length can also raise the energy conversion efficiency from mechanical to electrical energy of the nanofluidic devices due to the reduction of flow resistance. For instance, it was shown that a slip length of 50 nm could increase the efficiency of energy

• liquid–solid interaction parameter [62]. However, it should be noted that this model is only applicable to cases of water slippage on smooth surfaces, and there are some deviations for water slippage on rough surfaces [66]. On the other hand, even on very smooth surfaces, the contact angle, surface–water

• length correspondingly decreases [23][46]. Joly et al. proposed an approximate model to describe the relationship between the slip length and surface charge density. They validated the model by using a MD simulation with an ionized solution system represented by models of ideal solvents and ions [46

Impact of electron–phonon coupling on electron transport through T-shaped arrangements of quantum dots in the Kondo regime

• Patryk Florków and
• Stanisław Lipiński

Beilstein J. Nanotechnol. 2021, 12, 1209–1225, doi:10.3762/bjnano.12.89

• , through cotunneling processes, to the spin Fano–Kondo effect. For strong e–ph coupling, the charge ordered ground state of the system appears, and for special ranges of gate voltages and the corresponding values of e–ph coupling the charge Fano–Kondo effect occurs. Model and Formalism We consider two

• independent bosons is reduced to six (e, p, d, d’, t, and f) and two Lagrange coefficients are sufficient (Δ and Δ’). In the SBMFA procedure the problem of strong interactions is formally reduced to the effective free electron model with renormalized hopping integrals and dot energies. SBMFA best describes

• dots. It was found that transport through electron–phonon cavities with QDs embedded in a freestanding membrane is strongly affected by vibrational degrees of freedom. As model systems we have chosen single (TQD) or double (DTQD) T-shaped arrangements of quantum dots. The first system in the absence of

Morphology-driven gas sensing by fabricated fractals: A review

• Vishal Kamathe and
• Rupali Nagar

Beilstein J. Nanotechnol. 2021, 12, 1187–1208, doi:10.3762/bjnano.12.88

• D is then estimated by [43][51]: This analysis also predicts the power law governing the growth within the fractal space. Growth of fractals in unique geometrical patterns has been predominantly a subject of theoretical treatment. The diffusion-limited aggregation (DLA) model was proposed in 1981

• -equilibrium processes predict pattern formation by considering movement/diffusion of aggregates that ultimately results in the final fractal pattern [53][54]. In the DLA model, one seed particle is placed initially at a location called “origin” of a chosen lattice. Then, another particle is placed far from

• are used as sensing material [57]. Proposed growth model for fab-fracs This section specifically discusses the various parameters that influence the final shape of a lab-grown fab-frac using the sol–gel technique. Nucleation is a random and probabilistic event that happens on a substrate. As a fluid

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

• method was later improved by taking into account the molecular bonding [48]. The ionization cross section can also be calculated using the Deutsch and Märk (DM) formalism [49] or the binary encounter Bethe (BEB) model [50]. It should be noted that the mentioned methods yield the total electron ionization

• newly adsorbed precursor molecules. The amount and spatial distribution of the precursor molecules added at each replenishment step can be varied in the model to describe different experimental conditions. The spatial distribution of the adsorbates added within the replenishment phase can also be

Self-assembly of amino acids toward functional biomaterials

• Huan Ren,
• Lifang Wu,
• Lina Tan,
• Yanni Bao,
• Yuchen Ma,
• Yong Jin and
• Qianli Zou

Beilstein J. Nanotechnol. 2021, 12, 1140–1150, doi:10.3762/bjnano.12.85

• combinations suggest that all assembled ultrastructures formed from various metabolites exhibit amyloidosis. These metabolites not only self-assemble into supramolecular amyloid fiber structures, but also have significant apoptotic effects on neuron model cells. Singh et al. [36] showed that the hydrophobic

• effectively capturing model bacteria methicillin-resistant S. aureus and Escherichia coli. When Fmoc-ʟ-Phe/OTE-ᴅ-Phe is coated on the surface, it also exhibits a strong ability to specifically kill methicillin-resistant S. aureus. In addition, Chakraborty et al. [43] designed a gelling agent containing two

• encapsulated in the Cys/Zn framework as a guest molecule to obtain the original pigment model, which can achieve methyl violet (MV2+) photoreduction, CO2 photoreduction, NADH formation, and hydrogen release [60]. In addition, histidine has site-specific metal ion coordination with an imidazole ring [61]. Han

pH-driven enhancement of anti-tubercular drug loading on iron oxide nanoparticles for drug delivery in macrophages

• Karishma Berta Cotta,
• Sarika Mehra and
• Rajdip Bandyopadhyaya

Beilstein J. Nanotechnol. 2021, 12, 1127–1139, doi:10.3762/bjnano.12.84

• work, we used NOR as a model fluoroquinolone and a zwitterionic drug, to explore its interaction with IONPs and further achieve any potential improvement in intra-macrophage delivery and drug accumulation. Being a zwitterionic drug, NOR exists in 3 forms; NOR+ (at pH < 6.2), NOR± (at pH 7) and NOR− (at

• profile from NOR@IONPpH10 resembled that of free NOR where the release was rapid over the first 4–6 h and saturated out there after (Figure 5b, inset). The release of NOR from metal oxides, NiO, is found to follow first order rate kinetics thus we too fitted out drug release plots to a first order model

Open-loop amplitude-modulation Kelvin probe force microscopy operated in single-pass PeakForce tapping mode

• Gheorghe Stan and
• Pradeep Namboodiri

Beilstein J. Nanotechnol. 2021, 12, 1115–1126, doi:10.3762/bjnano.12.83

• modeling [55] of the tip–sample system. While in CL AM-KPFM these deconvolutions apply to the CPD maps as inverse problems, it is conceivable that a simple model such as a multi-capacitances approximation can be run on OL AM-KPFM measurements to remove some of the stray capacitive couplings concomitantly

First-principles study of the structural, optoelectronic and thermophysical properties of the π-SnSe for thermoelectric applications

• Muhammad Atif Sattar,
• Najwa Al Bouzieh,
• Maamar Benkraouda and
• Noureddine Amrane

Beilstein J. Nanotechnol. 2021, 12, 1101–1114, doi:10.3762/bjnano.12.82

• mesh of 4 × 4 × 4 for the Brillouin zone sampling. A denser k-mesh of 27 × 27 × 27 (924 k-points) is selected to more accurately calculate the optical and thermoelectric parameters. The thermodynamic variables have been computed through the use of the quasi-harmonic Debye model carried out within the

• states, according to the revised lone pair model [58]. The conduction band of the π-SnSe phase consists of p states of Sn and Se as the majority of states and the share of s states of Sn and Se is very small, which can be seen from the projected DOS plot in Figure 3. The conventional electronic

• of temperature as well as pressure on TD parameters, such as the Grüneisen parameter (γ), Debye temperature (θD), thermal expansion coefficient (α), heat capacity (CV), and volume. We employed the quasi-harmonic Debye model [60][61] to explore the TD properties of the π-SnSe alloy. We obtained the TD

A new method for obtaining model-free viscoelastic material properties from atomic force microscopy experiments using discrete integral transform techniques

• Berkin Uluutku,
• Enrique A. López-Guerra and
• Santiago D. Solares

Beilstein J. Nanotechnol. 2021, 12, 1063–1077, doi:10.3762/bjnano.12.79

• or power-law rheology models, among others. Here we propose a new method to invert and obtain the viscoelastic properties of a material through the use of the Z-transform, without using a model. We present the rheological viscoelastic relations in their classical derivation and their z-domain

• correspondence. We illustrate the proposed technique on a model experiment involving a traditional ramp-shaped force–distance AFM curve, demonstrating good agreement between the viscoelastic characteristics extracted from the simulated experiment and the theoretical expectations. We also provide a path for

• calculating standard viscoelastic responses from the extracted material characteristics. The new technique based on the Z-transform is complementary to previous model-based viscoelastic analyses and can be advantageous with respect to Fourier techniques due to its generality. Additionally, it can handle the

Use of nanosystems to improve the anticancer effects of curcumin

• Andrea M. Araya-Sibaja,
• Norma J. Salazar-López,
• Krissia Wilhelm Romero,
• José R. Vega-Baudrit,
• J. Abraham Domínguez-Avila,
• Carlos A. Velázquez Contreras,
• Ramón E. Robles-Zepeda,
• Mirtha Navarro-Hoyos and
• Gustavo A. González-Aguilar

Beilstein J. Nanotechnol. 2021, 12, 1047–1062, doi:10.3762/bjnano.12.78

• CD44. Besides, they reported complementary evidence in which in vivo studies in female BALB/c mice showed that CUR nanococrystals had better anticancer effects in a 4T1 orthotopic breast cancer model as compared to F-CUR. Ribas et al. [57] reported that supercritical solvents (and no cosolvents) were

A Au/CuNiCoS₄/p-Si photodiode: electrical and morphological characterization

• Adem Koçyiğit,
• Adem Sarılmaz,
• Teoman Öztürk,
• Faruk Ozel and
• Murat Yıldırım

Beilstein J. Nanotechnol. 2021, 12, 984–994, doi:10.3762/bjnano.12.74

• illustration and (b) band diagram of the fabricated Au/CuNiCoS4/p-Si photodiode. (a) XRD pattern and crystal structure model, (b) TEM image, (c) HR-TEM interplanar spacing image, (d) FE-SEM image and (e) EDS pattern of the CuNiCoS4 nanocrystals. (a) Absorbance spectroscopy graph (inset figure: diffuse

Is the Ne operation of the helium ion microscope suitable for electron backscatter diffraction sample preparation?

• Annalena Wolff

Beilstein J. Nanotechnol. 2021, 12, 965–983, doi:10.3762/bjnano.12.73

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

• sufficient to truly electronically insulate molecular structures. For this, the usage of either thicker insulating films (mostly alkali halides) or bulk insulators is required. For studying molecules on bulk insulators, ionic crystals (e.g., KBr, NaCl, CaF2, and calcite) have mostly served as model systems

Self-assembly of Eucalyptus gunnii wax tubules and pure ß-diketone on HOPG and glass

• Miriam Anna Huth,
• Axel Huth and
• Kerstin Koch

Beilstein J. Nanotechnol. 2021, 12, 939–949, doi:10.3762/bjnano.12.70

• the formation of ß-diketone tubules, we cannot yet provide a molecular model of ß-diketone tubules, which explains the observed differences caused by the substrate polarity in this current study. In future studies, the molecular arrangement of the observed layers and tubules could provide a deeper

The role of deep eutectic solvents and carrageenan in synthesizing biocompatible anisotropic metal nanoparticles

• Nabojit Das,
• Akash Kumar and
• Raja Gopal Rayavarapu

Beilstein J. Nanotechnol. 2021, 12, 924–938, doi:10.3762/bjnano.12.69

• of CTAB-capped gold nanorods on estuarine model systems (consisting of sediments, plants, microbial films, fish, and snails) for observing ecological and environmental impact [71]. The results showed that the biofilms were the primary route through which gold nanorods enters the food chain. It is

• of carrageenan and surfactants. The dissolution of several compounds would significantly contribute to a species-rich system with higher conductivity. This unique hybrid model will create a platform for synthesizing n different nanomaterials with combinatorial possibilities of 2n since there are n