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

• principles calculations of the cohesive energy and elastic constants as well as phonon dispersion relations show stability of both hcp and dhcp polytypes of gold [24]. Ab initio studies indicate higher stability of the fcc phase and a tendency towards hcp → fcc phase transformation. However, the calculated

• differences between the polytypes are very small [14][25]. In contrast, molecular dynamics simulations of metallic nanowires show a phase transformation from fcc to hcp below a critical diameter [26]. These findings support the feasibility of obtaining new hexagonal structures under conditions where surface

The influence of structure and local structural defects on the magnetic properties of cobalt nanofilms

• Alexander Vakhrushev,
• Aleksey Fedotov,
• Olesya Severyukhina and
• Anatolie Sidorenko

Beilstein J. Nanotechnol. 2023, 14, 23–33, doi:10.3762/bjnano.14.3

• the need to use a comprehensive approach in theoretical studies, since the behavior of different phases is often described by different models or state equations [4]. Another reason is that phase transformation mechanisms originate at the nanoscale and atomic levels [5][6], where observation and

Recent trends in Bi-based nanomaterials: challenges, fabrication, enhancement techniques, and environmental applications

• Vishal Dutta,
• Ankush Chauhan,
• Ritesh Verma,
• C. Gopalkrishnan and
• Van-Huy Nguyen

Beilstein J. Nanotechnol. 2022, 13, 1316–1336, doi:10.3762/bjnano.13.109

• , Huang et al. reported that BiOI microspheres served as self-sacrificing templates for in situ phase transformation and formation of phase junctions [81]. Different bismuth oxyiodides were formed as a result of this. Hierarchical BiOI, Bi4O5I2, Bi4O5I2–Bi5O7I phase-junction, and Bi5O7I may be synthesized

Sodium doping in brookite TiO₂ enhances its photocatalytic activity

• Boxiang Zhuang,
• Honglong Shi,
• Honglei Zhang and
• Zeqian Zhang

Beilstein J. Nanotechnol. 2022, 13, 599–609, doi:10.3762/bjnano.13.52

• interplanar spacing values are 3.5092 and 3.4619 Å, respectively. Thus, the orientation relationship between the matrix and twins is // and // The twinning effect in the brookite structure may be the major driven force of the phase transformation from the brookite NaxTi1−xO2 to Na2Ti6O13. Such transformation

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

• h in dry air. This process is supposed to remove surface-adsorbed water, such as residues from the synthesis process or from exposure to humid conditions. Powder X-ray diffraction confirmed that this process does not affect the crystallinity of the two materials, and no phase transformation was

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

• occur along the entire length of the grain boundary and is instead localized in one area. Neither for the positive nor for the negative polarization experiments, a change of the local sample topography was observed, which would hint at a local phase transformation. As the surface potential also relaxes

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

• alterations and, in some instances, phase transformation of Cu to Cu3Ga occurred when polishing with Ga ions. Polishing with high-energy Ne ions at a glancing angle maintains the crystal structure and significantly improves indexing in EBSD measurements. By milling down to a depth equaling the depth of the

• grains is 25% when using this lower ion dose and would be sufficiently large to allow the formation of the Cu3Ga phase. To evaluate if a significant phase transformation and sample alteration occur at a lower ion dose than previously reported, the two different ion doses (2247 ions/nm2 and 3371 ions/nm2

• . Faster milling grains, however, do not reach this critical concentration and phase transformations. In addition, significant crystal structure changes could not be observed in the EBSD measurements for those grains. The measurements suggest that the damage and occurring phase transformation are linked to

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

• best of our knowledge, this is the first report on the spontaneous growth of MnxGe1−x NWs that do not result from seeded growth and/or phase transformation. Considering all the features of the NWs observed here, we suggest that they are formed by a two-step process. First, the growth of 3D islands to

An advanced structural characterization of templated meso-macroporous carbon monoliths by small- and wide-angle scattering techniques

• Felix M. Badaczewski,
• Marc O. Loeh,
• Torben Pfaff,
• Dirk Wallacher,
• Daniel Clemens and
• Bernd M. Smarsly

Beilstein J. Nanotechnol. 2020, 11, 310–322, doi:10.3762/bjnano.11.23

• nanometer-sized voids. For the pitch-based porous carbon the average pore size is ca. 7 nm, corresponding well to Ar physisorption analysis. Since SANS probes accessible and inaccessible voids, all mesopores are thus accessible. The pitch precursor exhibits a phase transformation during carbonization at

Facile biogenic fabrication of hydroxyapatite nanorods using cuttlefish bone and their bactericidal and biocompatibility study

• Satheeshkumar Balu,
• Manisha Vidyavathy Sundaradoss,
• Swetha Andra and
• Jaison Jeevanandam

Beilstein J. Nanotechnol. 2020, 11, 285–295, doi:10.3762/bjnano.11.21

• from 583 to 689 °C for CB due to the decomposition of CaCO3, however no weight loss was observed for CB-Hap nanorods due to their thermal stability [33]. Herradi et al. (2017) suggested that a temperature above 750 °C is not suitable for Hap powder fabrication as a phase transformation is observed from

Ultrathin Ni_1−xCo_xS₂ nanoflakes as high energy density electrode materials for asymmetric supercapacitors

• Xiaoxiang Wang,
• Teng Wang,
• Rusen Zhou,
• Lijuan Fan,
• Shengli Zhang,
• Feng Yu,
• Tuquabo Tesfamichael,
• Liwei Su and
• Hongxia Wang

Beilstein J. Nanotechnol. 2019, 10, 2207–2216, doi:10.3762/bjnano.10.213

• energy density of 67.5 Wh·kg−1) and excellent cycling stability. This approach can be a low-cost way to mass-produce high-performance electrode materials for supercapacitors. Keywords: electrode materials; high energy density; in situ phase transformation; NiCo sulfide; supercapacitors; ultrathin

Flexible freestanding MoS₂-based composite paper for energy conversion and storage

• Florian Zoller,
• Jan Luxa,
• Thomas Bein,
• Dina Fattakhova-Rohlfing,
• Daniel Bouša and
• Zdeněk Sofer

Beilstein J. Nanotechnol. 2019, 10, 1488–1496, doi:10.3762/bjnano.10.147

• der Waals spaces between the MoS2 layers forming LixMoS2 accompanied by a phase transformation from trigonal prismatic (2H) to octahedral (1T) (see the following Equation 2) [8][20][21]. The peak at ≈0.3 V corresponds to the conversion of the previously formed LixMoS2 into metallic Mo and LiS2 (see

Energy distribution in an ensemble of nanoparticles and its consequences

• Dieter Vollath

Beilstein J. Nanotechnol. 2019, 10, 1452–1457, doi:10.3762/bjnano.10.143

• temperature profile of a phase transformation, it is possible to calculate the particle size distribution of the ensemble with a precision within the scattering range of the experimental data. This is the most important application of this analysis and coincidently a proof of the basic premise. The basic

• individual particles. This is of particular relevance in the vicinity of the temperature of a phase transformation, because there are experimental indications of a broad temperature range for the transformation and not, as it is observed in bulk materials, a specific transformation temperature. Within this

• particle size dependent, the determination of the particle size distribution is inherently possible from the experimentally found temperature dependence of a phase transformation. Results and Discussion Mathematical model Maxwell and Boltzmann assumed a normal distribution of the velocity for gas atoms

Direct observation of oxygen-vacancy formation and structural changes in Bi₂WO₆ nanoflakes induced by electron irradiation

• Hong-long Shi,
• Bin Zou,
• Zi-an Li,
• Min-ting Luo and
• Wen-zhong Wang

Beilstein J. Nanotechnol. 2019, 10, 1434–1442, doi:10.3762/bjnano.10.141

• be a fundamental step for controllable engineering of defects. Electron-beam irradiation is a powerful technique to fabricate or modify materials at the nanoscale [21][22]. For example, electron irradiation can induce a phase transformation from crystalline to amorphous or vice versa [23][24]; the

Trapping polysulfide on two-dimensional molybdenum disulfide for Li–S batteries through phase selection with optimized binding

• Sha Dong,
• Xiaoli Sun and
• Zhiguo Wang

Beilstein J. Nanotechnol. 2019, 10, 774–780, doi:10.3762/bjnano.10.77

• batteries. Keywords: Li–S batteries; molybdenum disulfide; phase transformation; Introduction To satisfy the increasing demand for high-capacity energy storage systems, rechargeable lithium–sulfur (Li–S) batteries have attracted much attention in recent years due to a high theoretical specific energy

• is the energetically stable phase with semiconductor characteristics, in which the S atoms are located in the lattice positions of a hexagonal close-packed structure. 1T'-MoS2 is a meta-stable phase with narrow bandgap, in which each Mo atom is octahedrally coordinated with six S atoms. The phase

• transformation of 2H→1T' has been widely studied [26][27][28]. The fundamental mechanisms of this structural transformation are governed by electron transfer [26], so the phase transition can be initiated by treatment with n-butyllithium (n-BuLi) [27], intercalation of alkali-metal ions [29][30], substitution of

Ultrasonication-assisted synthesis of CsPbBr₃ and Cs₄PbBr₆ perovskite nanocrystals and their reversible transformation

• Longshi Rao,
• Xinrui Ding,
• Xuewei Du,
• Guanwei Liang,
• Yong Tang,
• Kairui Tang and
• Jin Z. Zhang

Beilstein J. Nanotechnol. 2019, 10, 666–676, doi:10.3762/bjnano.10.66

• the ultrasound power, radiation time, and the height of the vibrating spear. The optimized CsPbBr3 PNCs show a good stability and high PL QY of up to 85%. In addition, the phase transformation between CsPbBr3 PNCs and Cs4PbBr6 PNCs can be obtained through varying the amount of oleylamine (OAm) and

• PNCs in a different phase. Similar methods were applied to explore new perovskite materials such as Cs4PbBr6. Zhai et al. showed a simple solvothermal approach for synthesizing CsPbBr3 nanoplatelets and their phase transformation to Cs4PbBr6 PNCs [23]. Liu and co-workers also demonstrated that CsPbBr3

• reported for synthesizing PNCs without using polar solvents, it does not allow for a control over dimensionality and phase transformation. We recently reported a fast, low-cost, environmentally friendly, and polar-solvent-free strategy for synthesizing all-inorganic CsPbBr3 NCs with tunable shape and size

Temperature-dependent Raman spectroscopy and sensor applications of PtSe₂ nanosheets synthesized by wet chemistry

• Mahendra S. Pawar and
• Dattatray J. Late

Beilstein J. Nanotechnol. 2019, 10, 467–474, doi:10.3762/bjnano.10.46

• two steps. The first step is the formation of the PtSe complex on the wall of a container by a wet chemical method; the second step is the phase transformation of PtSe2 by thermal annealing. 0.5 mL of a 0.015 M solution of H2PtCl6 was mixed with 0.5 mL of 0.5 M hexamethylenetetramine. In order to get

Advanced scanning probe lithography using anatase-to-rutile transition to create localized TiO₂ nanorods

• Julian Kalb,
• Vanessa Knittel and
• Lukas Schmidt-Mende

Beilstein J. Nanotechnol. 2019, 10, 412–418, doi:10.3762/bjnano.10.40

• TiO2 nanorods grow hydrothermally on anatase particles with a diameter of approximately 25 nm [39][40]. Even if rutile TiO2 seed nanocrystals are already present, it is assumed that anatase clusters diffuse along rutile TiO2 surfaces towards low-energy facets and perform a solid-state phase

• transformation into rutile TiO2 on these facets [41]. Thus, it is possible to promote a position-controlled hydrothermal growth by generating anatase nanoparticles locally by scratching across an anatase film using a conventional AFM tip. Experimental We fabricated a 40 nm thin amorphous TiO2 film by DC sputter

Sub-wavelength waveguide properties of 1D and surface-functionalized SnO₂ nanostructures of various morphologies

• Venkataramana Bonu,
• Binaya Kumar Sahu,
• Arindam Das,
• Sankarakumar Amirthapandian,
• Sandip Dhara and
• Harish C. Barshilia

Beilstein J. Nanotechnol. 2019, 10, 379–388, doi:10.3762/bjnano.10.37

• thermodynamically by considering the Gibbs energy as a measure of structural phase transformation [8]. During VLS growth, the formation of nucleation from the saturated catalyst (Au) is the important step for the shape and structure. As reported earlier, the difference in the Gibbs energy promotes the phase

Hydrogen-induced plasticity in nanoporous palladium

• Markus Gößler,
• Eva-Maria Steyskal,
• Markus Stütz,
• Norbert Enzinger and
• Roland Würschum

Beilstein J. Nanotechnol. 2018, 9, 3013–3024, doi:10.3762/bjnano.9.280

• work we propose a slightly altered version of this relationship, linking plastic deformation to surface stress: where Δεp is the plastic strain per phase-transformation cycle, ΔV/V the volume mismatch of the two involved phases (for Pd and PdHβ: ΔV/V ≈ 0.1), and σy the yield strength of the nanoporous

Controllable one-pot synthesis of uniform colloidal TiO₂ particles in a mixed solvent solution for photocatalysis

• Jong Tae Moon,
• Seung Ki Lee and
• Ji Bong Joo

Beilstein J. Nanotechnol. 2018, 9, 1715–1727, doi:10.3762/bjnano.9.163

• increases of the calcination temperature to over 800°C, all of anatase peaks disappeared and only the strong peaks related to the rutile phase were observed, which indicated that the meta-stable anatase phase was completely converted to rutile by the thermal phase transformation. The average anatase

Influence of the preparation method on the photocatalytic activity of Nd-modified TiO₂

• Patrycja Parnicka,
• Paweł Mazierski,
• Tomasz Grzyb,
• Wojciech Lisowski,
• Ewa Kowalska,
• Bunsho Ohtani,
• Adriana Zaleska-Medynska and
• Joanna Nadolna

Beilstein J. Nanotechnol. 2018, 9, 447–459, doi:10.3762/bjnano.9.43

• patterns of the examined samples are shown in Figure 1. In all synthesized photocatalysts, the diffraction pattern presents a group of lines at 2θ values of 25.4, 37.9, 48.1, 54.1, 55.1 and 62.9°, which are characteristic of anatase phase. The phase transformation to rutile has not occurred despite the

Photocatalytic and adsorption properties of TiO₂-pillared montmorillonite obtained by hydrothermally activated intercalation of titanium polyhydroxo complexes

• Mikhail F. Butman,
• Nikolay L. Ovchinnikov,
• Nikita S. Karasev,
• Nataliya E. Kochkina,
• Alexander V. Agafonov and
• Alexandr V. Vinogradov

Beilstein J. Nanotechnol. 2018, 9, 364–378, doi:10.3762/bjnano.9.36

• the growth of crystallites. Indeed, the size of the anatase crystallites sequentially increases from 5.6 to 12.7 nm (Table 2) with increasing calcination temperature from 300 to 800 °C. According to the data of Figure 2, the phase transformation of anatase into rutile lies in the temperature range

Ab initio study of adsorption and diffusion of lithium on transition metal dichalcogenide monolayers

• Xiaoli Sun and
• Zhiguo Wang

Beilstein J. Nanotechnol. 2017, 8, 2711–2718, doi:10.3762/bjnano.8.270

• (129 mAh/g) at the same current density [22]. MX2 monolayers have three types of crystalline structures, hexagonal structure (2H), octahedral structure (1T) and distorted octahedral structure (1T') [23][24][25]. The structures depend on the arrangements of the M and X atoms. Phase transformation

Au₅₅, a stable glassy cluster: results of ab initio calculations

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

Beilstein J. Nanotechnol. 2017, 8, 2221–2229, doi:10.3762/bjnano.8.222

• the value of the surface energy. Keywords: amorphous; Au55 cluster; glass structure; phase transformation; surface energy; Introduction There is a lot of discussion about the structure and surface energy of small nanoparticles. However, this discussion is rather limited due to the fact that there

• data suggest a phase transformation in the temperature range around 600 K, which is the highest temperature at which the coordination number of twelve is observed. In thermodynamics of bulk materials, a discontinuity of the free enthalpy as a function of the temperature is a typical marker for a phase

• the linear function are less than 1%. Consequently, the cluster with fcc structure shows a phase transformation from the non-equilibrium crystalline state to the glassy structure at temperatures below 300 K. Above this temperature, the values of the energy difference correspond to the glassy structure