Multiscale modelling of biomolecular corona formation on metallic surfaces

• Parinaz Mosaddeghi Amini,
• Ian Rouse,
• Julia Subbotina and
• Vladimir Lobaskin

Beilstein J. Nanotechnol. 2024, 15, 215–229, doi:10.3762/bjnano.15.21

• -bonded potential () (including van der Waals (vdW) repulsion and solvent effects), a long-range core vdW potential (), and an electrostatic potential (Uel). Through interaction potentials for specific AAs with the NP, the overall interaction potential between the NP and the complete protein (Up−NP) is

• affinity than Al(100) and Al(110). The interaction potential of glucose with the three Al surfaces predicted using the PMFPredictor Toolkit. The solid lines give the ensemble average of ten versions of the model while the shaded regions indicate the 95% confidence intervals. Adsorption energy heatmaps

Plasmonic nanotechnology for photothermal applications – an evaluation

• A. R. Indhu,
• L. Keerthana and
• Gnanaprakash Dharmalingam

Beilstein J. Nanotechnol. 2023, 14, 380–419, doi:10.3762/bjnano.14.33

Quantitative dynamic force microscopy with inclined tip oscillation

• Philipp Rahe,
• Daniel Heile,
• Reinhard Olbrich and
• Michael Reichling

Beilstein J. Nanotechnol. 2022, 13, 610–619, doi:10.3762/bjnano.13.53

• choice and geometry: The difference can be amplified or reduced depending on the oscillation amplitude, on the interaction potential strength and decay, as well as on the atomic geometry. For example, edges of finite atomic slabs or larger atomic clusters generate significant effects. In practice, a

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

• 50. Because there are overlaps, we initially give them no interaction. To remove overlapping gently, we first applied a nonphysical soft hybrid interaction potential, for 0.25 ns to remove particle overlapping, and then slowly ramp up the potential over a period of 0.25 ns to the coarse-grained

• potential described in the previous section. The hybrid interaction potential consists of a 12-6 Lennard-Jones potential for the non-bonded interactions and a spring potential for the bonded interactions. Once we have reached a melt with the correct interaction, we equilibrate it for 0.25 ns in the NVE

Electromigration-induced formation of percolating adsorbate islands during condensation from the gaseous phase: a computational study

• Alina V. Dvornichenko,
• Vasyl O. Kharchenko and
• Dmitrii O. Kharchenko

Beilstein J. Nanotechnol. 2021, 12, 694–703, doi:10.3762/bjnano.12.55

• component Jint defined by the interaction potential of the adsorbate U(r) as follows: Jint = (D↔/T)μ(x)∇U, where the kinetic coefficient μ(x) = x(1 − x) determines that this diffusion is possible only on sites free of adsorbate. The interaction potential U(r) can be defined in the framework of the self

• energy of the adsorbate and the interaction radius, respectively. By assuming that the concentration of adsorbate x does not crucially change within the interaction radius r0, we can use an expansion: By substituting Equation 2 into Equation 3 with the condition → 0 at m > 2, the interaction potential

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

Quantitative determination of the interaction potential between two surfaces using frequency-modulated atomic force microscopy

• Nicholas Chan,
• Carrie Lin,
• Tevis Jacobs,
• Robert W. Carpick and
• Philip Egberts

Beilstein J. Nanotechnol. 2020, 11, 729–739, doi:10.3762/bjnano.11.60

• , Pittsburgh, PA 15621, USA Department of Mechanical Engineering and Applied Mechanics, University of Pennsylvania, 220 S. 33rd Street, Philadelphia, Pennsylvania 19104, USA 10.3762/bjnano.11.60 Abstract The interaction potential between two surfaces determines the adhesive and repulsive forces between them

• . It also determines interfacial properties, such as adhesion and friction, and is a key input into mechanics models and atomistic simulations of contacts. We have developed a novel methodology to experimentally determine interaction potential parameters, given a particular potential form, using

• separation distances. This methodology represents the first experimental technique in which material interaction potential parameters were verified over a range of tip–sample separation distances for a tip apex of arbitrary geometry. Keywords: adhesion; atomic force microscopy; diamond; frequency-modulated

Pure and mixed ordered monolayers of tetracyano-2,6-naphthoquinodimethane and hexathiapentacene on the Ag(100) surface

• Robert Harbers,
• Timo Heepenstrick,
• Dmitrii F. Perepichka and
• Moritz Sokolowski

Beilstein J. Nanotechnol. 2019, 10, 1188–1199, doi:10.3762/bjnano.10.118

• cause the formation of small islands at low coverages, different to the situation seen for HTPEN. The corrugation of the interaction potential between TNAP and the Ag(100) surface atoms seems to be weaker, compared to that of HTPEN, or it is overruled to some degree by the attractive intermolecular

Tailoring the stability/aggregation of one-dimensional TiO₂(B)/titanate nanowires using surfactants

• Atiđa Selmani,
• Johannes Lützenkirchen,
• Kristina Kučanda,
• Dario Dabić,
• Engelbert Redel,
• Ida Delač Marion,
• Damir Kralj,
• Darija Domazet Jurašin and
• Maja Dutour Sikirić

Beilstein J. Nanotechnol. 2019, 10, 1024–1037, doi:10.3762/bjnano.10.103

• repulsive double layer interaction potential (overlapping EDL) and the attractive van der Walls force [53][54]. The average hydrodynamic diameter can be reduced as the zeta potential increases, due to enhanced repulsive electrostatic force and particle stabilization. Effect of TNW concentration on the

Atomistic modeling of tribological properties of Pd and Al nanoparticles on a graphene surface

• Alexei Khomenko,
• Miroslav Zakharov,
• Denis Boyko and
• Bo N. J. Persson

Beilstein J. Nanotechnol. 2018, 9, 1239–1246, doi:10.3762/bjnano.9.115

• only including those atoms that interact strongly with the substrate. This is illustrated in Figure 6. In Figure 6c the interaction potential to the substrate is large (), and the particle takes the shape of a spherical (or elliptic) cup. In this case the projected geometrical area is close to the area

• where the surface atoms interact strongly with the substrate. In the opposite limit (Figure 6a), where the interaction potential with the substrate atoms is very weak (), the particle takes a nearly spherical shape and in this case the projected area, as would be obtained using, e.g., atomic force

• microscopy, would be much larger than the surface area where strong interaction with the substrate occurs. In our study we are in an intermediate interaction potential region where the contact appears as in Figure 6b. In this case using the projected contact area will not give the area where the interaction

Triptycene-terminated thiolate and selenolate monolayers on Au(111)

• Jinxuan Liu,
• Martin Kind,
• Björn Schüpbach,
• Daniel Käfer,
• Stefanie Winkler,
• Wenhua Zhang,
• Andreas Terfort and
• Christof Wöll

Beilstein J. Nanotechnol. 2017, 8, 892–905, doi:10.3762/bjnano.8.91

• larger domains and lower defect densities than their sulfur-based analogues. The most prominent example likely is anthraceneselenolate [5] vs anthracenethiolate [26] on Au(111). The selenolate anchoring group is believed to experience a smaller corrugation of the Au(111) interaction potential, enabling

Effect of Anderson localization on light emission from gold nanoparticle aggregates

• Mohamed H. Abdellatif,
• Marco Salerno,
• Gaser N. Abdelrasoul,
• Ioannis Liakos,
• Alice Scarpellini,
• Sergio Marras and
• Alberto Diaspro

Beilstein J. Nanotechnol. 2016, 7, 2013–2022, doi:10.3762/bjnano.7.192

• : where s is the interparticle distance and VT is the total interaction potential, which according to the classical model of DLVO theory [32][33] is made of is two parts [25]: where Velec is the electrostatic repulsion potential due to Coulomb force, and VVdW is the Van der Waals interaction potential

Advanced atomic force microscopy techniques III

• Thilo Glatzel and
• Thomas Schimmel

Beilstein J. Nanotechnol. 2016, 7, 1052–1054, doi:10.3762/bjnano.7.98

• surfaces [33], and combined STM and AFM measurements on single-layer graphene on SiC(0001) [34] have been investigated, discussed, and presented. Another combined STM-AFM study determines very accurately the probe-nanocrystal interaction potential [35]. Finally, enhanced information can also be achieved by

Assembling semiconducting molecules by covalent attachment to a lamellar crystalline polymer substrate

• Rainhard Machatschek,
• Patrick Ortmann,
• Renate Reiter,
• Stefan Mecking and
• Günter Reiter

Beilstein J. Nanotechnol. 2016, 7, 784–798, doi:10.3762/bjnano.7.70

• interaction potential, their presence was not expected to cause a detectable surface pressure. Thus, we attributed the deviation from Π = 0 mN/m to the contribution of methanol in the aqueous subphase. Therefore, we set the observed value as the reference value Π = 0 mN/m. The deposited layer of nanocrystals

A simple method for the determination of qPlus sensor spring constants

• John Melcher,
• Julian Stirling and
• Gordon A. Shaw

Beilstein J. Nanotechnol. 2015, 6, 1733–1742, doi:10.3762/bjnano.6.177

• tip–sample interaction potential. The effect of the tip height and resulting parasitic tip rotation are carefully considered in terms of the error in the reconstructed tip–sample force. Modeling the qPlus sensor dynamics Figure 2 provides a model schematic of the qPlus sensor. The unconstrained tine

• the scanning stage, which is assumed to be transverse to the cantilever axis, and the tip–displacement are no longer collinear. The dynamics of the qPlus sensor subjected to an interaction potential V(x,z) can be modeled with classic Euler–Bernoulli beam theory. Let w(x,t) denote the transverse

Nano-contact microscopy of supracrystals

• Adam Sweetman,
• Nicolas Goubet,
• Ioannis Lekkas,
• Marie Paule Pileni and
• Philip Moriarty

Beilstein J. Nanotechnol. 2015, 6, 1229–1236, doi:10.3762/bjnano.6.126

• more than 1 nm into the repulsive (i.e., positive force) regime of the probe–nanocrystal interaction potential. Constant height force microscopy has been used to map tip–sample interactions in this regime, revealing inhomogeneities which arise from the convolution of the tip structure with the ligand

Probing fibronectin–antibody interactions using AFM force spectroscopy and lateral force microscopy

• Andrzej J. Kulik,
• Małgorzata Lekka,
• Kyumin Lee,
• Grazyna Pyka-Fościak and
• Wieslaw Nowak

Beilstein J. Nanotechnol. 2015, 6, 1164–1175, doi:10.3762/bjnano.6.118

• , indicating the presence of only one energy barrier in the interaction energy landscape. However, in the case of complex molecules, such as proteins, the kinetic processes can be characterized by multiple local maxima and minima in the interaction potential along the reaction coordinate. In these situations

High-frequency multimodal atomic force microscopy

• Adrian P. Nievergelt,
• Jonathan D. Adams,
• Pascal D. Odermatt and
• Georg E. Fantner

Beilstein J. Nanotechnol. 2014, 5, 2459–2467, doi:10.3762/bjnano.5.255

• scanner feedback loop is then closed by enforcing a higher drive amplitude than the free drive amplitude. As the tip–sample distance decreases, the force interaction becomes stronger and energy is lost from the cantilever oscillation. By using this technique, the non-monotonic tip–surface interaction

• potential is mapped onto a monotonic function. By controlling for a constant energy loss in this way, soft imaging with very small amplitudes down to 100 pm can be realized; however, an unclean cantilever excitation can negatively impact the imaging. Our photothermal readout head provides the capability for

Patterning a hydrogen-bonded molecular monolayer with a hand-controlled scanning probe microscope

• Matthew F. B. Green,
• Taner Esat,
• Christian Wagner,
• Philipp Leinen,
• Alexander Grötsch,
• F. Stefan Tautz and
• Ruslan Temirov

Beilstein J. Nanotechnol. 2014, 5, 1926–1932, doi:10.3762/bjnano.5.203

• successfully, despite lacking full knowledge of their complex interaction potential? Generally, the manipulation act is defined as a trajectory that connects the initial and the final states of the junction in its multidimensional state space. In SPM such trajectories can only be executed by controlled changes

Single-asperity contact mechanics with positive and negative work of adhesion: Influence of finite-range interactions and a continuum description for the squeeze-out of wetting fluids

• Martin H. Müser

Beilstein J. Nanotechnol. 2014, 5, 419–437, doi:10.3762/bjnano.5.50

• interaction potential. In our units, the well-known ac(FN,E*,R,Δγ) relations can be simplified to Hertzian contact mechanics is obtained in either limit for FN >> 1. Finally, note that Maugis’ choice for units slightly differs from ours in that he used πΔγ rather than Δγ in Equation 23–Equation 26 and 3E/4

Structural development and energy dissipation in simulated silicon apices

• Samuel Paul Jarvis,
• Lev Kantorovich and
• Philip Moriarty

Beilstein J. Nanotechnol. 2013, 4, 941–948, doi:10.3762/bjnano.4.106

• Δf(z) measurements or tip indentations carried out specifically to modify the apex, the scanning tip is constantly oscillating at a rate of a few kilohertz, often with an amplitude that is larger than the silicon interaction potential. Therefore, as the average z position is ramped towards the sample

Bimodal atomic force microscopy driving the higher eigenmode in frequency-modulation mode: Implementation, advantages, disadvantages and comparison to the open-loop case

• Daniel Ebeling and
• Santiago D. Solares

Beilstein J. Nanotechnol. 2013, 4, 198–207, doi:10.3762/bjnano.4.20

• interactions (conservative and dissipative) [26] (note that the measured frequency shift is also indirectly affected by dissipation in large-amplitude intermittent-contact experiments, in that dissipative forces can limit penetration of the probe tip into the repulsive region of the tip–sample interaction

• potential, thus leading to lower frequency shifts [13]). The above fact complicates the reconstruction of tip–sample interactions when performing spectroscopy in AM-AFM (see [26]). Furthermore, known bistabilities from AM operation [22][27][28] do not occur in FM-AFM, ensuring smoother characterization in

High-resolution dynamic atomic force microscopy in liquids with different feedback architectures

• John Melcher,
• David Martínez-Martín,
• Miriam Jaafar,
• Julio Gómez-Herrero and
• Arvind Raman

Beilstein J. Nanotechnol. 2013, 4, 153–163, doi:10.3762/bjnano.4.15

• –sample interaction during an oscillation. Moreover, by introducing a specific model for Fts, a relationship between vts and the interaction potential can be established [27]. Finally, both ets and vts have been nondimensionalized by the energy dissipated by the media during an oscillation cycle Emed

Probing three-dimensional surface force fields with atomic resolution: Measurement strategies, limitations, and artifact reduction

• Mehmet Z. Baykara,
• Omur E. Dagdeviren,
• Todd C. Schwendemann,
• Harry Mönig,
• Eric I. Altman and
• Udo D. Schwarz

Beilstein J. Nanotechnol. 2012, 3, 637–650, doi:10.3762/bjnano.3.73

• normal force Fn is then calculated by taking the derivative of the total interaction potential in the vertical direction. The model tip apices used in the study are constructed from six close-packed atoms arranged in a three-layer planar configuration with the structural characteristics of a single Pt

Analysis of force-deconvolution methods in frequency-modulation atomic force microscopy

• Joachim Welker,
• Esther Illek and
• Franz J. Giessibl

Beilstein J. Nanotechnol. 2012, 3, 238–248, doi:10.3762/bjnano.3.27

• instead to the average force gradient, as can be seen from a simple model. Let us assume an interaction potential between a tip and a sample denoted by Vts(z). Accordingly, the force is given by Fts(z) = −(dVts(z)/dz) and the force gradient by kts(z) = −(dFts(z)/dz). If kts is constant over the range of