Effect of radiation-induced vacancy saturation on the first-order phase transformation in nanoparticles: insights from a model

• Aram Shirinyan and
• Yuriy Bilogorodskyy

Beilstein J. Nanotechnol. 2024, 15, 1453–1472, doi:10.3762/bjnano.15.117

• /bjnano.15.117 Abstract By employing a model of nanomaterials with polymorphic phase transitions and using a thermodynamic approach to describe the effects of vacancy saturation, irradiation dose, powder dispersion, and surface energies, we demonstrate the possibility of radiation-induced phase

• enthalpy and entropy of vacancy formation in Fe. First-order phase transformations are accompanied by nucleation and the overcoming of energy barriers. To our knowledge, the consideration of nucleation energy barriers and the alteration of surface energies during transformation under irradiation has been

• factors in a comprehensive thermodynamic approximation. As our model system, we selected a spherical nanoscale particle in an inert medium, for which we utilized the parameters necessary for calculations. Our aim is to investigate the effects of powder dispersion, surface energies of phases, and vacancy

Heat-induced morphological changes in silver nanowires deposited on a patterned silicon substrate

• Elyad Damerchi,
• Sven Oras,
• Edgars Butanovs,
• Allar Liivlaid,
• Mikk Antsov,
• Boris Polyakov,
• Annamarija Trausa,
• Veronika Zadin,
• Andreas Kyritsakis,
• Loïc Vidal,
• Karine Mougin,
• Siim Pikker and
• Sergei Vlassov

Beilstein J. Nanotechnol. 2024, 15, 435–446, doi:10.3762/bjnano.15.39

• instability and energy minimization via spheroidization [28][31]. It has been demonstrated that various coatings can effectively protect metallic NWs by suppressing surface diffusion [32][33][34]. The kinetics of diffusive processes in NWs are tightly related to the surface energies of the system. Both Ag and

Density functional theory study of Au-fcc/Ge and Au-hcp/Ge interfaces

• Olga Sikora,
• Małgorzata Sternik,
• Benedykt R. Jany,
• Franciszek Krok,
• Przemysław Piekarz and
• Andrzej M. Oleś

Beilstein J. Nanotechnol. 2023, 14, 1093–1105, doi:10.3762/bjnano.14.90

• calculate this energy for an XY heterostructure, separated into two slabs, that is, two supercells with either X or Y atoms and a vacuum layer, with periodic boundary conditions imposed: where σX and σY are the surface energies of X and Y phases. Their values can be obtained from the following formula

• effects are captured within the supercell and that the two interfaces resulting from periodic boundary conditions do not interact with each other. To test the convergence of surface energies, interface energies and the work of separation, we considered Ge(001) and Au-fcc(001) slabs with different numbers

• investigation of more complicated interfaces where larger numbers of layers result in very long computational times. Results for model surfaces and interfaces We consider several low-index planes of Ge, Au-fcc and Au-hcp crystals (some of them are presented in Figure 1). The calculated surface energies are

Temperature and chemical effects on the interfacial energy between a Ga–In–Sn eutectic liquid alloy and nanoscopic asperities

• Yujin Han,
• Pierre-Marie Thebault,
• Corentin Audes,
• Xuelin Wang,
• Haiwoong Park,
• Jian-Zhong Jiang and
• Arnaud Caron

Beilstein J. Nanotechnol. 2022, 13, 817–827, doi:10.3762/bjnano.13.72

• energy of the system. The larger the individual free surface energies, the larger the energetic gain upon the formation of an interface. Above, we have related the temperature sensitivity of the surface energy κ to the surface entropy Ss. For most liquids, the value κ is negative, owing to an increase in

Theranostic potential of self-luminescent branched polyethyleneimine-coated superparamagnetic iron oxide nanoparticles

• Rouhollah Khodadust,
• Ozlem Unal and
• Havva Yagci Acar

Beilstein J. Nanotechnol. 2022, 13, 82–95, doi:10.3762/bjnano.13.6

• aggregate to minimize their high surface energies [59]. Therefore, electrostatic and steric repulsion need to be created between SPIONs to prevent agglomeration and produce a stable nanoparticle. It was also demonstrated that peptization prevents agglomeration, paving the way for the production of

Spontaneous shape transition of Mn_xGe_1−x islands to long nanowires

• S. Javad Rezvani,
• Luc Favre,
• Gabriele Giuli,
• Yiming Wubulikasimu,
• Isabelle Berbezier,
• Augusto Marcelli,
• Luca Boarino and
• Nicola Pinto

Beilstein J. Nanotechnol. 2021, 12, 366–374, doi:10.3762/bjnano.12.30

• elongated islands is limited, which restricts the ripening process as well. However, the variation of the NW size distribution can also be attributed to the modulation of the surface energies and to the value of the parameter Γ, which can modify the aspect ratio of the wires and the critical value of α0. A

Formation of metal/semiconductor Cu–Si composite nanostructures

• Natalya V. Yumozhapova,
• Andrey V. Nomoev,
• Vyacheslav V. Syzrantsev and
• Erzhena C. Khartaeva

Beilstein J. Nanotechnol. 2019, 10, 2497–2504, doi:10.3762/bjnano.10.240

• difference in surface energies of the components and the thermodynamic analysis of two-component phase diagrams was investigated. However, this mechanism does not take into account the nonequilibrium of the formation process (metastable states) that may occur under different synthesis conditions. The

• fundamental science. The formation of core–shell particles, under the conditions of the experiment, when a liquid two-component melt is preliminarily created before evaporation, most likely occurs when condensed copper and silicon drops merge and segregate due to the difference of their surface energies. The

Nanostructured and oriented metal–organic framework films enabling extreme surface wetting properties

• Andre Mähringer,
• Julian M. Rotter and
• Dana D. Medina

Beilstein J. Nanotechnol. 2019, 10, 1994–2003, doi:10.3762/bjnano.10.196

• MOF films efficiently repel a large variety of oily liquids, hence constituting an intriguing platform for underwater superoleophobic properties. Since MOFs are crystalline materials featuring crystal facets with distinct surface energies, the orientation of these crystallites on a surface is expected

Development of a new hybrid approach combining AFM and SEM for the nanoparticle dimensional metrology

• Loïc Crouzier,
• Alexandra Delvallée,
• Sébastien Ducourtieux,
• Laurent Devoille,
• Guillaume Noircler,
• Christian Ulysse,
• Olivier Taché,
• Elodie Barruet,
• Christophe Tromas and
• Nicolas Feltin

Beilstein J. Nanotechnol. 2019, 10, 1523–1536, doi:10.3762/bjnano.10.150

• deformation of spherical bodies by including adhesion forces to the Hertz contact equation. This interaction can be described by the Bradley theory [34]: with P the adhesion force and Δγ = γ1 + γ2 − γ12 the work of adhesion with γ1 and γ2, the surface energies of NP and substrate, respectively, and γ12 the

Interaction of Te and Se interlayers with Ag or Au nanofilms in sandwich structures

• Arkadiusz Ciesielski,
• Lukasz Skowronski,
• Marek Trzcinski,
• Ewa Górecka,
• Wojciech Pacuski and
• Tomasz Szoplik

Beilstein J. Nanotechnol. 2019, 10, 238–246, doi:10.3762/bjnano.10.22

• effects in such structures, particularly in the case of selenium [34][35]. Segregation of semiconductor atoms in plasmonic metals is mainly driven by the specific atomic interactions which cause the difference in matrix surface energies with and without the solute as well as the specific heat of mixing

A comparison of tarsal morphology and traction force in the two burying beetles Nicrophorus nepalensis and Nicrophorus vespilloides (Coleoptera, Silphidae)

• Liesa Schnee,
• Benjamin Sampalla,
• Josef K. Müller and
• Oliver Betz

Beilstein J. Nanotechnol. 2019, 10, 47–61, doi:10.3762/bjnano.10.5

• attachment with respect to various surface properties was investigated by using a 2 × 3 experimental design. Traction force was measured for two different surface energies (hydrophilic vs hydrophobic) varying in roughness from smooth to micro-rough to rough. Nanotribometric tests on single legs were also

Synthesis of hafnium nanoparticles and hafnium nanoparticle films by gas condensation and energetic deposition

• Irini Michelakaki,
• Nikos Boukos,
• Dimitrios A. Dragatogiannis,
• Spyros Stathopoulos,
• Costas A. Charitidis and
• Dimitris Tsoukalas

Beilstein J. Nanotechnol. 2018, 9, 1868–1880, doi:10.3762/bjnano.9.179

• by surface-energy minimization. Each free surface is characterized by its surface energy, the physical origin of which is the fact that atoms at the free surfaces have unsaturated chemical bonds. The crystalline solids exhibit different surface energies for the various crystalline planes, which leads

Enhancement of mechanical and electrical properties of continuous-fiber-reinforced epoxy composites with stacked graphene

• Naum Naveh,
• Olga Shepelev and
• Samuel Kenig

Beilstein J. Nanotechnol. 2017, 8, 1909–1918, doi:10.3762/bjnano.8.191

• spite of the very low viscosity of GLYMO. The hydrophilic/hydrophobic nature of the SAA dictates the surface energy balance, such that more hydrophilicity (thus, higher surface energies) drives the treated nanoparticles to the fiber/matrix interface, due to the higher surface energy of the Kevlar fibers

Structural model of silicene-like nanoribbons on a Pb-reconstructed Si(111) surface

• Agnieszka Stępniak-Dybala and
• Mariusz Krawiec

Beilstein J. Nanotechnol. 2017, 8, 1836–1843, doi:10.3762/bjnano.8.185

• cutoff for all calculations was set to 340 eV, and the Brillouin zone was sampled by a 5 × 2 × 1 Monkhorst–Pack k-points grid [51], 640 eV and 9 × 3 × 1 grid in convergence tests, which resulted in changes of the surface energies of less than 0.1 meV/Å2. The spin–orbit interaction has not been included

• cell forming a NR. The relative surface energies γNR(Si) and distances between BPs dBP, if available, of some representative structural models are listed in Table 1. The surface energy γNR(Si) is defined as where Etot and Ebare are total energies of the NR on the Si(111) surface and on the Si(111

• density of states of Si NR system in the absence (red line) and in the presence of Pb atoms (black line). Note that the system is metallic. Relative surface energies γNR(Si) and BP–BP distance dBP of structural models of Si NRs on the Si(111) surface. γNR(Si), defined by Equation 1, is measured with

Parylene C as a versatile dielectric material for organic field-effect transistors

• Tomasz Marszalek,
• Maciej Gazicki-Lipman and
• Jacek Ulanski

Beilstein J. Nanotechnol. 2017, 8, 1532–1545, doi:10.3762/bjnano.8.155

• produced on two different silicon dioxide substrates, characterized by surface energies of 51.8 and 40.1 mN/m, respectively [10]. It was found, that the average charge-carrier mobility was considerably higher (μ = 0.2 cm2/V·s ) when the SiO2 surface energy was lower. The substrate with the higher surface

Structural and tribometric characterization of biomimetically inspired synthetic "insect adhesives"

• Matthias W. Speidel,
• Malte Kleemeier,
• Andreas Hartwig,
• Klaus Rischka,
• Angelika Ellermann,
• Rolf Daniels and
• Oliver Betz

Beilstein J. Nanotechnol. 2017, 8, 45–63, doi:10.3762/bjnano.8.6

When the going gets rough – studying the effect of surface roughness on the adhesive abilities of tree frogs

• Niall Crawford,
• Thomas Endlein,
• Jonathan T. Pham,
• Mathis Riehle and
• W. Jon P. Barnes

Beilstein J. Nanotechnol. 2016, 7, 2116–2131, doi:10.3762/bjnano.7.201

• surface made from a monolayer of 1125 µm glass beads (Ballotini beads, Jencons, VWR International, Leicestershire, UK) and a control surface consisting of a glass plate. Thus, whilst the middle eight of these surfaces had identical surface energies (untested here), the roughest surface differed in both

Surface roughness rather than surface chemistry essentially affects insect adhesion

• Matt W. England,
• Tomoya Sato,
• Makoto Yagihashi,
• Atsushi Hozumi,
• Stanislav N. Gorb and
• Elena V. Gorb

Beilstein J. Nanotechnol. 2016, 7, 1471–1479, doi:10.3762/bjnano.7.139

• nymphaeae on surfaces with different surface energies, showing CAs in the range from 6° to 109°, was examined [35]. These beetles, both at their larval and adult stages, showed the highest forces on surfaces with water CAs close to 83° (similar to those of their host plant), while hydrophilic (CAs of 6 and

• measurements of different insects on surfaces with different surface energies were carefully compared [35]. No significant dependence of insect attachment forces on water CAs was shown in the five experiments recorded in the four studies compared. However, seven experimental set-ups from six different studies

• and experimental designs were used. In some of these studies, insect species that are strongly specialized to host plants whose leaf surfaces have very specific surface energies (water CA about 80°), such as the beetle Galerucella nympheae which lives on the leaf surface of the water lily, the maximum

Microscopic characterization of Fe nanoparticles formed on SrTiO₃(001) and SrTiO₃(110) surfaces

• Miyoko Tanaka

Beilstein J. Nanotechnol. 2016, 7, 817–824, doi:10.3762/bjnano.7.73

• that interface matching is less important in this case. Kamaratos et al. reported that no iron oxidation at the metal–oxide interface was indicated in their adsorption study of Fe on the STO(001) surfaces [46]. This may explain the priority of nanoparticles to surface energies than interface matching

• , especially the presence of oxygen vacancies formed during UHV annealing. Our previous studies found that surfaces of both STO(001) and STO(110) have oxygen-depleted (1 × 1) structures [25]. Surface energies for these may differ from those of fully oxidized ones and may alter above values. Still, the present

Orientation of FePt nanoparticles on top of a-SiO₂/Si(001), MgO(001) and sapphire(0001): effect of thermal treatments and influence of substrate and particle size

• Martin Schilling,
• Paul Ziemann,
• Zaoli Zhang,
• Johannes Biskupek,
• Ute Kaiser and
• Ulf Wiedwald

Beilstein J. Nanotechnol. 2016, 7, 591–604, doi:10.3762/bjnano.7.52

• the (111) spot in Figure 9 is determined to approximately 0.9 by evaluating the integral intensities. The still present (111) orientation may be caused by different surface energies leading to the expected Wulff shape of the small particles with favored (111) facets [28][42][43], while the (100

• with corresponding substrate-induced symmetries. In the present case of FePt NPs, surface energies prefer (111) facets with their symmetry being compatible with the hexagonal symmetry of sapphire(0001), while being incompatible with the 4-fold symmetry of MgO(001). As a consequence, on sapphire even

Synthesis and applications of carbon nanomaterials for energy generation and storage

• Marco Notarianni,
• Jinzhang Liu,
• Kristy Vernon and
• Nunzio Motta

Beilstein J. Nanotechnol. 2016, 7, 149–196, doi:10.3762/bjnano.7.17

• are the surface energies of the solvent and graphene, and is the volume fraction of graphene dispersed in the solution. From Equation 1, it is clear that the enthalpy of the mixing is minimal when the two surface energies are close or equivalent meaning that the exfoliation will take place with mild

Two-phase equilibrium states in individual Cu–Ni nanoparticles: size, depletion and hysteresis effects

• Aram S. Shirinyan

Beilstein J. Nanotechnol. 2015, 6, 1811–1820, doi:10.3762/bjnano.6.185

• surface energies of nanometric systems. Such approach explains, for example, the ‘anomalous’ appearance of metastable phases (from bulk point of view) in nanosized systems which are related to the change of the conditions for the phase equilibrium. Stable state exists when the system is in its lowest

Template-controlled mineralization: Determining film granularity and structure by surface functionality patterns

• Nina J. Blumenstein,
• Jonathan Berson,
• Stefan Walheim,
• Petia Atanasova,
• Johannes Baier,
• Joachim Bill and
• Thomas Schimmel

Beilstein J. Nanotechnol. 2015, 6, 1763–1768, doi:10.3762/bjnano.6.180

• regions of different polarities and surface energies on the deposition of thin ZnO-containing films was investigated. The positively charged amino-functionalized surface areas lead to a homogenous film with low roughness. The use of an uncharged hydrophobic SAM molecule (FDTS) supports the formation of

The Kirkendall effect and nanoscience: hollow nanospheres and nanotubes

• Abdel-Aziz El Mel,
• Ryusuke Nakamura and
• Carla Bittencourt

Beilstein J. Nanotechnol. 2015, 6, 1348–1361, doi:10.3762/bjnano.6.139

• formation of a single large void during the conversion process was assumed to be more favorable as compared to the formation of multiple smaller voids and filaments observed in the symmetrical mechanism, illustrated in Figure 4 and Figure 5e. Indeed, since the sum of surface energies of multiple small voids

From lithium to sodium: cell chemistry of room temperature sodium–air and sodium–sulfur batteries

• Philipp Adelhelm,
• Pascal Hartmann,
• Conrad L. Bender,
• Martin Busche,
• Christine Eufinger and
• Juergen Janek

Beilstein J. Nanotechnol. 2015, 6, 1016–1055, doi:10.3762/bjnano.6.105