Hydroxyapatite–bioglass nanocomposites: Structural, mechanical, and biological aspects

• Olga Shikimaka,
• Mihaela Bivol,
• Bogdan A. Sava,
• Marius Dumitru,
• Christu Tardei,
• Beatrice G. Sbarcea,
• Daria Grabco,
• Constantin Pyrtsac,
• Daria Topal,
• Andrian Prisacaru,
• Vitalie Cobzac and
• Viorel Nacu

Beilstein J. Nanotechnol. 2022, 13, 1490–1504, doi:10.3762/bjnano.13.123

• . For composites with plastic-fragile and fragile behavior, the ISE is caused by involving and developing delamination and cracking with increasing load (Figure 6), which leads to the relaxation of stress in the deformation zone and, as a result, to the decrease of hardness. SBF testing and bioactivity

Structural studies and selected physical investigations of LiCoO₂ obtained by combustion synthesis

• Monika Michalska,
• Paweł Ławniczak,
• Tomasz Strachowski,
• Adam Ostrowski and
• Waldemar Bednarski

Beilstein J. Nanotechnol. 2022, 13, 1473–1482, doi:10.3762/bjnano.13.121

• flattening of the semicircle caused by the distribution of the relaxation time constants. Ideally, when only one time constant describes relaxation processes in the material (Debye-type response), the fit parameter α is close to 0 and there is no flattening of the semicircle. The distribution of the time

Facile preparation of Au- and BODIPY-grafted lipid nanoparticles for synergized photothermal therapy

• Yuran Wang,
• Xudong Li,
• Haijun Chen and
• Yu Gao

Beilstein J. Nanotechnol. 2022, 13, 1432–1444, doi:10.3762/bjnano.13.118

• conversion efficiency by generating new cross-relaxation pathways between the ladder-like energy levels of Nd3+ ions and the continuous energy band of PB [10]. The strategy to generate new cross-relaxation pathways between different materials is applicable to design all kinds of enhanced photothermal agents

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

• region, or to relaxation of previous displacement cascades. Due to the strong interaction between silicon and oxygen particles, Si–O products tend to be sputtered as a cluster or the oxygen migrates into the amorphous region. The other relevant reaction products (e.g., Si–OH, Si–H2, and Si–O2) are

Theoretical investigations of oxygen vacancy effects in nickel-doped zirconia from ab initio XANES spectroscopy at the oxygen K-edge

• Dick Hartmann Douma,
• Lodvert Tchibota Poaty,
• Alessio Lamperti,
• Stéphane Kenmoe,
• Abdulrafiu Tunde Raji,
• Alberto Debernardi and
• Bernard M’Passi-Mabiala

Beilstein J. Nanotechnol. 2022, 13, 975–985, doi:10.3762/bjnano.13.85

• the O K-edge in nickel-doped zirconia with and without O vacancies are presented and discussed. A conclusion is given in the final section. Computational Methodology Structural relaxation First principles calculations have been performed with the Quantum-ESPRESSO code [38] using the plane waves basis

• -polarized structural relaxation calculations are then performed to determine the energetically most stable spin configuration of the Ni dopant atoms in zirconia. The relaxed configuration of ZrO2 with the Ni1 and Ni2 dopants containing no vacancies, that is, the S0 structure is cubic. This structure is

• relaxed structure of S0, ferromagnetic spin alignments are more stable compared to the antiferromagnetic configuration, and the local environment around Ni dopants assumes to a tetrahedral symmetry following the relaxation (Figure 2a,b). In the case of S1, the ferromagnetic configuration is still the most

Self-assembly of C₆₀ on a ZnTPP/Fe(001)–p(1 × 1)O substrate: observation of a quasi-freestanding C₆₀ monolayer

• Guglielmo Albani,
• Michele Capra,
• Alessandro Lodesani,
• Alberto Calloni,
• Gianlorenzo Bussetti,
• Marco Finazzi,
• Franco Ciccacci,
• Alberto Brambilla,
• Lamberto Duò and
• Andrea Picone

Beilstein J. Nanotechnol. 2022, 13, 857–864, doi:10.3762/bjnano.13.76

• surfaces for the investigation of their intrinsic properties, the minimization of the molecule–substrate interaction is desirable [20]. Furthermore, a weak molecule/metal electronic coupling is required in organic solar cells, because metallic states promote the relaxation of photo-excitations, lowering

Ultrafast signatures of magnetic inhomogeneity in Pd_1−xFe_x (x ≤ 0.08) epitaxial thin films

• Andrey V. Petrov,
• Sergey I. Nikitin,
• Lenar R. Tagirov,
• Amir I. Gumarov,
• Igor V. Yanilkin and
• Roman V. Yusupov

Beilstein J. Nanotechnol. 2022, 13, 836–844, doi:10.3762/bjnano.13.74

• inhomogeneities. The low-temperature fraction of the residual paramagnetic phase can be deduced from the magnitude of the slow reflectivity relaxation component. It is estimated as ≈30% for x = 0.038 and ≈15% for x = 0.062 films. The minimal iron content ensuring the magnetic homogeneity of the ferromagnetic

• magnetic inhomogeneities in thin films. Individual constituents can be characterized by specific relaxation components that can be used to detect magnetic inhomogeneities and track their evolution. In addition, the peculiarities of the magnetization dynamics in magnetically inhomogeneous systems themselves

• angles were ≈2° and ≈18°. The relaxation of the electronic subsystem was monitored by the relative change in the reflection coefficient (∆R/R). Ultrafast dynamics of the magnetization was analyzed by the deviation of the angle of rotation of the polarization plane of the probing light from the

Tunable high-quality-factor absorption in a graphene monolayer based on quasi-bound states in the continuum

• Jun Wu,
• Yasong Sun,
• Feng Wu,
• Biyuan Wu and
• Xiaohu Wu

Beilstein J. Nanotechnol. 2022, 13, 675–681, doi:10.3762/bjnano.13.59

• Fermi level, ω is the angular frequency, e is the elementary charge, and τ is the carrier relaxation lifetime. In our simulation, the permittivity of the graphene monolayer is described by: where ε0 is the relative permittivity of vacuum, and hg is the thickness of the graphene, which is assumed to be

A superconducting adiabatic neuron in a quantum regime

• Marina V. Bastrakova,
• Dmitrii S. Pashin,
• Dmitriy A. Rybin,
• Andrey E. Schegolev,
• Nikolay V. Klenov,
• Igor I. Soloviev,
• Anastasiya A. Gorchavkina and
• Arkady M. Satanin

Beilstein J. Nanotechnol. 2022, 13, 653–665, doi:10.3762/bjnano.13.57

• instantaneous eigenbasis. Numerical simulations are performed for the temperature of the bosonic thermostat at T = 50 mK. We investigated the relaxation of the excited states for both the single-well (l < l*, Figure 10a,c) and double-well (l > l*, Figure 10b,d) potential shapes. The key result is the

• suppression of the oscillations of the activation function for the neuron initialized in a superposition of two basic states. The dynamics of changes in the populations |ck(t)|2 of the energy levels for this case is shown in the insets of Figure 10 (see Figure 6 for comparison). This relaxation takes the full

Revealing local structural properties of an atomically thin MoSe₂ surface using optical microscopy

• Lin Pan,
• Peng Miao,
• Anke Horneber,
• Alfred J. Meixner,
• Pierre-Michel Adam and
• Dai Zhang

Beilstein J. Nanotechnol. 2022, 13, 572–581, doi:10.3762/bjnano.13.49

• MoSe2 monolayer is indicated by the red arrow. The olive arrow denotes the non-radiative relaxation process. The photoluminescence emission in MoSe2 monolayer is represented by the wine red arrow. Supporting Information Supporting Information features Raman spectra of the MoSe2 flake, the absorption

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

• in a less dense but more ordered structure over a large area with very few defects. During the self-assembly process, gold adatoms are ejected from the surface layer due to the relaxation of the herringbone reconstruction [68]. Several gold adatom islands, which would build up if the density of

The role of sulfonate groups and hydrogen bonding in the proton conductivity of two coordination networks

• Ali Javed,
• Felix Steinke,
• Stephan Wöhlbrandt,
• Hana Bunzen,
• Norbert Stock and
• Michael Tiemann

Beilstein J. Nanotechnol. 2022, 13, 437–443, doi:10.3762/bjnano.13.36

• detail below. (We did not observe any semicircular behavior in the absence of humidity, neither before nor after thermal activation, from which we conclude that other phenomena, such as relaxation of electric dipoles, do not significantly contribute to the charge mobility.) Another way to depict the

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

• adhesion or covalent chemical bonds, would behave more like the flat graphene in our simulations and would provide additional protection. The temperature dependence of friction can potentially allow one to probe different relaxation mechanisms in the polymer [33][34]. In our previous work [23], we

• extensively investigated the temperature dependence of friction of bare PVA. However, it was not possible to extract information about specific relaxation mechanisms this way because of the dominant involvement of wear. While the graphene coating reduces wear, it does not eliminate it to a degree that we

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

• % FeCo2O4 (CSO-FC2O) as electron-conductive phase in order to, first, locally change the defect chemistry of the material and, then, study the relaxation to the original surface potential state during uptake/release of oxygen from/to the surrounding air. By using an AFM tip as an electron-conductive

• at the sample surface until the original state was reached again. In this way, polarization-induced, reversible surface potential changes have already been monitored for a variety of single-phase acceptor-doped ceria materials [21][22][23]. Time-resolved relaxation curves calculated from the KPFM

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

• nonlinear dynamics for an additional perspective on the behavior. In a recent unification of nonlinear normal mode (NNM) definitions, Haller and Ponsioen state that a NNM is a “recurrent motion with a discrete Fourier spectrum of […] frequencies” for general dissipative systems [29]. This is a relaxation of

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

• tabulated in Table 2. Dielectric studies are some of the most important techniques to understand the effect of plasticizers, blending of polymers, inter-/intramolecular interactions, their transport mechanism, and relaxation behavior at a molecular level. Figure 6a and Figure 6b show the dielectric constant

• temperatures is a measure of the dielectric relaxation which occurs due to the lagging time of rotation with respect to an external alternating field of side groups associated with the main chain. On the other hand, low-temperature dielectric dispersion is a measure of β-relaxation and is related to the micro

• dielectric constant with increasing frequency is the most expected phenomenon of dielectric materials which mostly arises due to the dielectric relaxation that causes an anomalous dispersion. The orientational polarization, which depends on the molecular arrangement of dielectric materials, is the major

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

• hopping term between the open and interacting dot is also renormalized by a factor X, which describes the effect of the phonon cloud accompanying the hopping process . For l = 1 both hopping integrals are renormalized and . Assuming the relaxation time of phonons to be much shorter than the time of

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

• certain distance above the surface, optimized and deposited upon the substrate. Thermalization and relaxation of the system are performed at the end of the replenishment stage, which is then followed by the next cycle of irradiation. In the present study each replenishment phase is simulated for 0.4 ns

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

• Gibbs2 code [54] by considering lattice vibrations. To calculate the thermoelectric properties, we used the Boltzmann transport theory employed in the BoltzTrap2 [55] code by utilizing the rigid band estimation under a constant relaxation time. Results and Discussion Structural properties We have

• following relations [9]: Here, f0(T,ε) is the Fermi distribution function, α and β are tensor indices, Ω is cell volume, and σαβ(ε) is the electrical conductivity tensor computed through Fourier interpolation of the band energies. We have evaluated these TE parameters under a constant relaxation time (τ

• ambient condition, the value of (κe) is observed to be 0.30 × 1018 W·K−1·m−1 for the cubic π-SnSe alloy under a constant relaxation time (1014). The thermal conductivity linearly increases with the increasing temperature which can be also seen from Figure 9c and has a relatively similar linear increase

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

• have been developed to describe specific kinds of relaxation behavior in the material. For example, in some cases, the analysis involves an assumption regarding discrete characteristic relaxation timescales in the material, which are represented using spring–dashpot models [20][24], while in other

Revealing the formation mechanism and band gap tuning of Sb₂S₃ nanoparticles

• Maximilian Joschko,
• Franck Yvan Fotue Wafo,
• Christina Malsi,
• Danilo Kisić,
• Ivana Validžić and
• Christina Graf

Beilstein J. Nanotechnol. 2021, 12, 1021–1033, doi:10.3762/bjnano.12.76

• explained by different preparation conditions [49]. Different formation mechanisms can lead to differences in bond lengths and angles in an amorphous material, and therefore to a different mobility gap [46]. Hence, a decreasing mobility gap suggests that an electronic relaxation process occurs after a

• range of 2.18 ± 0.03 to 2.01 ± 0.03 eV. In contrast, the optical band gap of the crystalline particles decreased to a value of 1.71 ± 0.03 eV and did not change any further. The reduction of the mobility gap of the amorphous states of the particles was likely due to an electronic relaxation effect with

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

• assemblies [23][28][60][61]. Similarly, the lack of electronic states around the Fermi level in a superconductor was used to preserve electronic properties in adsorbed molecules. For example, the spin relaxation in magnetic molecules was suppressed on a superconducting surface, which then resulted in a

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

• multiplied by n, the number of atoms in adsorbed Con or Run. 2. Binding energy with reference to a free Con or Run cluster: where Emetal_cluster is the single point energy of the Con or Run nanocluster structure in vacuum. Emonolayer* is the single point energy of the monolayer after relaxation. We chose to

• configuration of Co2 adsorbed at site hollow, during relaxation one Co atom migrated to site atop_S, making this a non-equivalent adsorption at separated sites atop_S - hollow, as shown in Figure 3F. This explains the less favourable binding energy of −4.92 eV compared to −5.73 eV at equivalent neighbouring

• an initial configuration of neighbouring Ru at site hollow (Figure 4C), are caused by the attempted incorporation of one Ru atom into the S layer during relaxation. This has also caused an S atom adjacent to Ru to move out of the surface and bond to both Ru atoms from above, forming a triangular Ru2S

Nanogenerator-based self-powered sensors for data collection

• Yicheng Shao,
• Maoliang Shen,
• Yuankai Zhou,
• Xin Cui,
• Lijie Li and
• Yan Zhang

Beilstein J. Nanotechnol. 2021, 12, 680–693, doi:10.3762/bjnano.12.54

• ) converts the energy of blood flow into electrical energy in the heart, which is used to detect changes in EP in real time [29]. The SEPS was implanted in the left atrium of a Yorkshire pig. Figure 3c shows the output voltages during cardiac contraction and relaxation. The changes in the output voltage

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