Strain-induced bandgap engineering in 2D ψ-graphene materials: a first-principles study

• Kamal Kumar,
• Nora H. de Leeuw,
• Jost Adam and
• Abhishek Kumar Mishra

Beilstein J. Nanotechnol. 2024, 15, 1440–1452, doi:10.3762/bjnano.15.116

• valence and conduction bands in the EBS. This material is a direct-bandgap material with the alignment of the conduction band’s minima and valence band’s maxima at the same k-points in the Brillouin zone (Figure 1c). We tabulate the structural parameters, bandgap, and buckling heights of these structures

• in Table 1. From Table 1 and Figure 1, it is clear that, while ψ-graphene is a flat 2D material, ψ-graphone and ψ-graphane are buckled sheets, and their buckling heights are 1.79 and 0.85 Å, respectively. Structural and electronic properties of ψ-graphene with strain We tabulate the structural

• parameters, buckling heights, and electronic bandgap values of all strained structures in Table 2. Positive strain We applied positive strain toward deliberate expansion of the structure, particularly focusing on the lattice plane, varying its value from 1% to 17% (Supporting Information File 1, Figure S1

Insect attachment on waxy plant surfaces: the effect of pad contamination by different waxes

• Elena V. Gorb and
• Stanislav N. Gorb

Beilstein J. Nanotechnol. 2024, 15, 385–395, doi:10.3762/bjnano.15.35

• easily brake because of buckling, whereas other projections only in some cases fracture by bending. To date, a very few experimental studies carried out with insects and waxy plant surfaces could confirm only indirectly the contamination hypothesis. Thus, inversion tests performed with the beetle

Fabrication and testing of polymer microneedles for transdermal drug delivery

• Vahid Ebrahiminejad,
• Zahra Faraji Rad,
• Philip D. Prewett and
• Graham J. Davies

Beilstein J. Nanotechnol. 2022, 13, 629–640, doi:10.3762/bjnano.13.55

• of bending, buckling, and tip blunting were then examined using compression tests and also theoretically. MN array insertion performance was studied in vitro on porcine back skin using both a prototype custom-made applicator and a commercial device. An adjustable skin stretcher mechanism was designed

• skin may result in MN failure due to buckling. The skin’s irregular topology and inherent elasticity can also impose undesired lateral loads, resulting in transverse bending failure [14]. Prevention of possible failure scenarios can avoid MN breakage and reduce the risk of leaving residues in the skin

• dimensional accuracy of final MN replicas. Analytical and experimental characteristics of MN failures by mechanical compression test Bending, buckling, and fracture are the main possible failure risks of polymer MN arrays upon insertion into the skin. Thus, investigations on the MN failure scenarios are

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

• external pressure. In the case of the crumpled graphene layer, we see a larger indentation depth compared to the flat graphene layer (Figure 7). The tip has more freedom to sink inside the material when the graphene sheet is crumpled (membrane buckling and elasticity) than in the case of flat graphene

A review of defect engineering, ion implantation, and nanofabrication using the helium ion microscope

• Frances I. Allen

Beilstein J. Nanotechnol. 2021, 12, 633–664, doi:10.3762/bjnano.12.52

• stress gradients across the membrane that lead to deformation by buckling [101]. Various intricate 3D structures have been created following this approach. Interestingly, right at the beginning of HIM-based research, membrane folding using localized helium ion irradiation was also demonstrated [99

• is conceivable that by using the HIM to both mill the cuts and induce the buckling, the size of FIB-based nanoscale kirigami structures can be further reduced compared to what is currently possible using the gallium FIB technique. First steps in this direction have recently been taken [102]. 4 Resist

Local stiffness and work function variations of hexagonal boron nitride on Cu(111)

• Abhishek Grewal,
• Yuqi Wang,
• Matthias Münks,
• Klaus Kern and
• Markus Ternes

Beilstein J. Nanotechnol. 2021, 12, 559–565, doi:10.3762/bjnano.12.46

• buckling perpendicular to the surface. Interestingly, this is in contrast to measurements by Schwarz et al. who used a more local analysis of the corrugation by exploiting nc-AFM concluding an absolute height difference of 0.3–0.7 Å between “rim” and “valley” sites of the spatially corrugated monolayer [26

• than the one studied in this work, the extremely low stiffness of only approx. 1 N·m−1 at the weakly bound rim areas confirmed the buckling of the monolayer into the third dimension to relieve the strain induced by the significant lattice mismatch of this strongly corrugated van der Waals layer [23

• and no buckling of the substrate and, thus, to high stiffness. Furthermore, our results corroborate that h-BN/Cu(111) has a small corrugation of 0.6 ± 0.2 Å but is mechanically stiff making it an appealing platform for studying intrinsic electronic and mechanical properties of nanostructures

Direct observation of the Si(110)-(16×2) surface reconstruction by atomic force microscopy

• Tatsuya Yamamoto,
• Ryo Izumi,
• Kazushi Miki,
• Takahiro Yamasaki,
• Yasuhiro Sugawara and
• Yan Jun Li

Beilstein J. Nanotechnol. 2020, 11, 1750–1756, doi:10.3762/bjnano.11.157

• pentagon can be used as a building block component. As an alternative to the ATI model, the adatom-buckling (AB) model [22] and the tetramer heptagonal- and tetragonal-ring (THTR) structure model [36] were proposed, but their atomic structures have not been confirmed completely because information

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

• energies from hBN/SiO2 to hBN/Cu(111) to hBN/Pt(111) to hBN/Rh(111). This is the direction of increasing interactions between the hBN layer and the supporting metal substrate, as indicated by the increasing amplitude of the buckling of the hBN layers [30][66]. We note that Forker et al. [23] could exclude

Adsorption and self-assembly of porphyrins on ultrathin CoO films on Ir(100)

• Feifei Xiang,
• Tobias Schmitt,
• Marco Raschmann and
• M. Alexander Schneider

Beilstein J. Nanotechnol. 2020, 11, 1516–1524, doi:10.3762/bjnano.11.134

• lattice [20]. While the cobalt ions bind directly to the iridium substrate, there is a considerable buckling of 100 pm of the oxygen atoms. The 2BL CoO(111) film is structurally much flatter with a surface corrugation of only 20 pm [18] (Figure 2c,d). From the structural analysis of thicker CoO(111) films

Atomic defect classification of the H–Si(100) surface through multi-mode scanning probe microscopy

• Jeremiah Croshaw,
• Thomas Dienel,
• Taleana Huff and
• Robert Wolkow

Beilstein J. Nanotechnol. 2020, 11, 1346–1360, doi:10.3762/bjnano.11.119

• of the unterminated dimers along the dimer row is resultant from the buckling known to occur for the reconstructed bare surface [46][47][48][49], as well as a slight double tip artefact. Defect catalogue Combining all six imaging modes allows for an in-depth characterization of the most common

Vibration analysis and pull-in instability behavior in a multiwalled piezoelectric nanosensor with fluid flow conveyance

• Sayyid H. Hashemi Kachapi

Beilstein J. Nanotechnol. 2020, 11, 1072–1081, doi:10.3762/bjnano.11.92

• nonlinear buckling and postbuckling behavior of functionally graded piezoelectric cylindrical nanoshells were studied by Fang et al. using the surface energy effect [21][22]. Also, Zhu et al. utilized the surface energy effect to investigate a new approach for smart control of nonlinear free vibration of

pH-Controlled fluorescence switching in water-dispersed polymer brushes grafted to modified boron nitride nanotubes for cellular imaging

• Saban Kalay,
• Yurij Stetsyshyn,
• Volodymyr Donchak,
• Khrystyna Harhay,
• Ostap Lishchynskyi,
• Halyna Ohar,
• Yuriy Panchenko,
• Stanislav Voronov and
• Mustafa Çulha

Beilstein J. Nanotechnol. 2019, 10, 2428–2439, doi:10.3762/bjnano.10.233

• buckling of B and N atoms at 758 cm−1 (Figure 3a, black line), which is in full agreement with an earlier report. The FTIR spectra of oligoperoxide-modified BNNTs was described in detail in our previous paper [12] and is not discussed here. After the fabrication of the P(AA-co-FA)-functionalized BNNTs, a

Nanoscale spatial mapping of mechanical properties through dynamic atomic force microscopy

• Zahra Abooalizadeh,
• Leszek Josef Sudak and
• Philip Egberts

Beilstein J. Nanotechnol. 2019, 10, 1332–1347, doi:10.3762/bjnano.10.132

• result of the deformation and buckling of the step edge as the tip traversed to the higher level terrace. While the observations in [25] were acquired under humid, ambient conditions, which can significantly influence the lateral forces measured at step edges [15], our measurement, under UHV conditions

Investigation of CVD graphene as-grown on Cu foil using simultaneous scanning tunneling/atomic force microscopy

• Majid Fazeli Jadidi,
• Umut Kamber,
• Oğuzhan Gürlü and
• H. Özgür Özer

Beilstein J. Nanotechnol. 2018, 9, 2953–2959, doi:10.3762/bjnano.9.274

• atomic structure of the tip apex. The fact that there is no sign of an abrupt change in the scans in both channels and the gradual increase in height in STM scan, which amounts up to 1 Å, may have suggested a real height change due to buckling/twisting of the topmost layer or change in LDOS between the

The effect of flexible joint-like elements on the adhesive performance of nature-inspired bent mushroom-like fibers

• Elliot Geikowsky,
• Serdar Gorumlu and
• Burak Aksak

Beilstein J. Nanotechnol. 2018, 9, 2893–2905, doi:10.3762/bjnano.9.268

• the microplate array and glass slide is visually checked using the inverted microscope, precision stages are used to bring the load cell stem in contact with the back of the acrylic peg. To prevent the fibers from buckling, the load cell is brought down with 1 μm steps while the load cell output is

Silicene, germanene and other group IV 2D materials

• Patrick Vogt

Beilstein J. Nanotechnol. 2018, 9, 2665–2667, doi:10.3762/bjnano.9.248

• , which increases with increasing atomic size. As a consequence of this mixed hybridization, the bonds between adjacent atoms of the lattice are buckled, resulting in a layer that is not completely flat. Such buckling within the layer is illustrated in Figure 1 for different elemental 2D materials. For

• the case of silicene, it can also be seen here that the substrate material further influences the buckling within the 2D layer, resulting from the interaction between the two systems. Free-standing silicene has a buckling around 0.44 Å [6], while epitaxial silicene on Ag(111) has a value of 0.75 Å [1

• ]. The buckling and the significant influence of the substrate have been considered as disadvantages since they influence the properties of the 2D layer. On the other hand, both characteristics also offer possibilities for tuning the properties of the 2D layer. External stimuli or the choice of the

An implementation of spin–orbit coupling for band structure calculations with Gaussian basis sets: Two-dimensional topological crystals of Sb and Bi

• Sahar Pakdel,
• Mahdi Pourfath and
• J. J. Palacios

Beilstein J. Nanotechnol. 2018, 9, 1015–1023, doi:10.3762/bjnano.9.94

• allowed to relax until atomic forces are smaller than 0.01 eV/Å. In agreement with previous studies for free standing antimonene [43], we obtain an in plane lattice constant of the relaxed structure a = 4.12 Å and a buckling height h = 1.64 Å. Panels (b) and (c) show the band structure obtained with

• parameters have been reported for Bi(111). Being aware of the sensitivity of the band structure to the exact atomic structure and for the sake of comparison we use a lattice constant a = 4.33 Å and a buckling height h = 1.74 Å as reported in a similar VASP calculation [61]. Figure 6 shows the band structure

Review: Electrostatically actuated nanobeam-based nanoelectromechanical switches – materials solutions and operational conditions

• Liga Jasulaneca,
• Jelena Kosmaca,
• Raimonds Meija,
• Jana Andzane and
• Donats Erts

Beilstein J. Nanotechnol. 2018, 9, 271–300, doi:10.3762/bjnano.9.29

• the best-achieved turn-on delay of 400 ns. When tested for durability, the Ru device withstood more than 2 × 106 switching cycles at 1 kHz frequency. However, when downscaling Ru NEM switches, residual stress must be accurately controlled to avoid the buckling of beams after etching of the sacrificial

Transition from silicene monolayer to thin Si films on Ag(111): comparison between experimental data and Monte Carlo simulation

• Alberto Curcella,
• Romain Bernard,
• Yves Borensztein,
• Silvia Pandolfi and
• Geoffroy Prévot

Beilstein J. Nanotechnol. 2018, 9, 48–56, doi:10.3762/bjnano.9.7

• easy synthesis, Si/Ag(111) monolayers have been intensively studied [3][4][5][6]. It has been shown that several monolayer structures can be formed, depending on the substrate temperature [7]. All of them probably correspond to a buckled honeycomb structure for Si atoms. For example, a buckling of 0.77

Intercalation of Si between MoS₂ layers

• Rik van Bremen,
• Qirong Yao,
• Soumya Banerjee,
• Deniz Cakir,
• Nuri Oncel and
• Harold J. W. Zandvliet

Beilstein J. Nanotechnol. 2017, 8, 1952–1960, doi:10.3762/bjnano.8.196

• robust against the buckling of the silicene lattice [5][7]. In 2009, Cahangirov et al. [7] found that germanene also exhibits similar properties as graphene and silicene. Similar to graphene, the electrons near the Fermi level in free-standing silicene are predicted to behave as massless Dirac fermions

Coexistence of strongly buckled germanene phases on Al(111)

• Weimin Wang and
• Roger I. G. Uhrberg

Beilstein J. Nanotechnol. 2017, 8, 1946–1951, doi:10.3762/bjnano.8.195

• metallic substrates and band gap materials. Bampoulis et al. [7] proposed a germanene layer with very small buckling (0.2 Å) when they made Pt/Ge crystals by depositing and annealing of Pt on Ge(110). In an inverse case, Li et al. [8] chose Pt(111) as a substrate onto which Ge was evaporated at room

α-Silicene as oxidation-resistant ultra-thin coating material

• Ali Kandemir,
• Fadil Iyikanat,
• Cihan Bacaksiz and
• Hasan Sahin

Beilstein J. Nanotechnol. 2017, 8, 1808–1814, doi:10.3762/bjnano.8.182

• ] on a silver surface in the 3 × 3-reconstructed α-form. Differing from graphene, silicene exhibits low buckling in which atoms in the different sub-lattices are shifted oppositely in the out-of-plane direction. The buckled structure of silicene forms perfect sites to capture oxygen atoms. It is known

Adsorption and diffusion characteristics of lithium on hydrogenated α- and β-silicene

• Fadil Iyikanat,
• Ali Kandemir,
• Cihan Bacaksiz and
• Hasan Sahin

Beilstein J. Nanotechnol. 2017, 8, 1742–1748, doi:10.3762/bjnano.8.175

• the hydrogenated α- and β-phases “H-α-Si” and “H-β-Si”, respectively. Due to the existence of the Ag(111) surface, one side of silicene is accessible to hydrogenation. Previous studies showed that H atoms interact with the upper Si atoms of silicene and enhances the buckling of H-α-Si and H-β-Si [30

Biomechanics of selected arborescent and shrubby monocotyledons

• Tom Masselter,
• Tobias Haushahn,
• Samuel Fink and
• Thomas Speck

Beilstein J. Nanotechnol. 2016, 7, 1602–1619, doi:10.3762/bjnano.7.154

• two rationales. First, the stems of the tested specimen of D. reflexa and D. surculosa were very long and slender. These plants showed a much higher length-to-diameter (L/D) ratio (personal observation) than the investigated (other) tree-like monocots. At high L/D, the risk for Euler buckling

Functional diversity of resilin in Arthropoda

• Jan Michels,
• Esther Appel and
• Stanislav N. Gorb

Beilstein J. Nanotechnol. 2016, 7, 1241–1259, doi:10.3762/bjnano.7.115

• , including those of fleas, feature composite architectures comparable to those described above. The ability of resilin to store energy within jumping systems was shown to be also involved in an energy absorption function of a specific structure, called buckling region, that is present in each tibia of locust

• hind legs [76]. The buckling region is located in an area where the bending moment during jumping and kicking is high. When a hindleg slips during jumping or misses a target during kicking, this structure can buckle and thereby act as a shock absorber by dissipating energy that would otherwise have to

• be absorbed by other suctures such as the leg joints. The buckling region exhibits parts with large proportions of resilin that are assumed to contribute to the energy absorption and to the restoration of the original shape of the leg after buckling [76]. Flight systems: folds, tendons and