Transferability of interatomic potentials for silicene

• Marcin Maździarz

Beilstein J. Nanotechnol. 2023, 14, 574–585, doi:10.3762/bjnano.14.48

• -dependent interatomic potential (EDIP) fitted to various bulk phases and defect structures of Si ReaxFF [41]: the reactive force-field (ReaxFF) fitted to a training set of DFT data that pertain to Si/Ge/H bonding environments COMB [42]: the charge optimized many-body (COMB) potential fitted to a pure

Single-step extraction of small-diameter single-walled carbon nanotubes in the presence of riboflavin

• Polina M. Kalachikova,
• Anastasia E. Goldt,
• Eldar M. Khabushev,
• Timofei V. Eremin,
• Timofei S. Zatsepin,
• Elena D. Obraztsova,
• Konstantin V. Larionov,
• Liubov Yu. Antipina,
• Pavel B. Sorokin and
• Albert G. Nasibulin

Beilstein J. Nanotechnol. 2022, 13, 1564–1571, doi:10.3762/bjnano.13.130

• according to Sharifi et al. [17], where the optimal lumiflavin packing density on the SWCNT surface was derived from nanotube chirality and found to be closely connected with the strength of H-bonding between adjusted molecules (Figure 4). Such packing comes from a continuous helical wrapping of

Design of surface nanostructures for chirality sensing based on quartz crystal microbalance

• Yinglin Ma,
• Xiangyun Xiao and
• Qingmin Ji

Beilstein J. Nanotechnol. 2022, 13, 1201–1219, doi:10.3762/bjnano.13.100

• oriented H-bonding between the chiral –OH groups of serine and –NH2 of PEA was the binding force for enantioselective recognition. Yu et al. designed new template-free polymer films based on the electropolymerization of 3,4-ethylenedioxythiophene monomers (EDOT) with an –OH functional group for chiral

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

• mobile charged species, namely [BDiMIM]+ and [Cl]− in a PVdF-HFP ionic liquid blend system. Moreover, this increase might also be due to a higher probability of H-bonding between protic IL and the polymer affecting its conductivity in a positive way. Usually, this change in conductivity pattern is due to

• an extended intermolecular overlap, which might also be due to H-bonding. In other words, an increase in the number of electrons associated in the H-bonding might be the reason of an increased ionic conductivity of ionic liquid-based systems [17]. Finally, {(PVdF-HFP) (40 wt %)-[BDiMIM][Cl] (60 wt

pH-driven enhancement of anti-tubercular drug loading on iron oxide nanoparticles for drug delivery in macrophages

• Karishma Berta Cotta,
• Sarika Mehra and
• Rajdip Bandyopadhyaya

Beilstein J. Nanotechnol. 2021, 12, 1127–1139, doi:10.3762/bjnano.12.84

• absence of NOR or its presence in very minute quantities (Figure 4d). A shift observed in the FTIR peak for OH stretching from 3420 cm−1 to 3440 cm−1 (Supporting Information File 1, Figure S2) could be a result of changes in the intermolecular H bonding, whereby we believe that a fraction of the hydrogen

Self-assembly and spectroscopic fingerprints of photoactive pyrenyl tectons on hBN/Cu(111)

• Domenik M. Zimmermann,
• Knud Seufert,
• Luka Ðorđević,
• Tobias Hoh,
• Sushobhan Joshi,
• Tomas Marangoni,
• Davide Bonifazi and
• Willi Auwärter

Beilstein J. Nanotechnol. 2020, 11, 1470–1483, doi:10.3762/bjnano.11.130

• interactions, including N…H bonds. Distinct organizational motifs could be discriminated (see inset of Figure 2b). The terminal N atom of one molecule could either establish H-bonding with a hydrogen atom of an adjacent pyridyl moiety of a neighboring molecule (link labeled d1 in Figure 2b, projected N…H bond

Polymorphic self-assembly of pyrazine-based tectons at the solution–solid interface

• Achintya Jana,
• Puneet Mishra and
• Neeladri Das

Beilstein J. Nanotechnol. 2019, 10, 494–499, doi:10.3762/bjnano.10.50

• to 0.36 nm. Based on literature reports, these interactions may be termed as “weak hydrogen bonds” since in each case a hydrogen atom bridges two atoms of relatively low electronegativity [20]. These weak H-bonding interactions, present in the crystal lattice of 1, are shown in Figure S1b of

Reduced graphene oxide supported C₃N₄ nanoflakes and quantum dots as metal-free catalysts for visible light assisted CO₂ reduction

• Md Rakibuddin and
• Haekyoung Kim

Beilstein J. Nanotechnol. 2019, 10, 448–458, doi:10.3762/bjnano.10.44

• a small percentage of rGO, which is shifted to lower wavenumber, indicating H-bonding interactions between CN-5 and rGO. The structural transformation of C3N4 nanosheets to QDs is also verified by UV–visible spectroscopy (Supporting Information File 1, Figure S4). The C3N4 nanosheet exhibits a sharp

Magnetic and luminescent coordination networks based on imidazolium salts and lanthanides for sensitive ratiometric thermometry

• Pierre Farger,
• Cédric Leuvrey,
• Mathieu Gallart,
• Pierre Gilliot,
• Guillaume Rogez,
• João Rocha,
• Duarte Ananias,
• Pierre Rabu and
• Emilie Delahaye

Beilstein J. Nanotechnol. 2018, 9, 2775–2787, doi:10.3762/bjnano.9.259

• bidentate chelate mode. The cohesion between these chains is realized through H bonding between H atoms of the coordinated water molecules and O atoms of the carboxylate functions. Beside the single crystal analysis, the homogeneity of the six samples was checked by powder X-ray diffraction. As shown in

Tuning adhesion forces between functionalized gold colloidal nanoparticles and silicon AFM tips: role of ligands and capillary forces

• Sven Oras,
• Sergei Vlassov,
• Marta Berholts,
• Rünno Lõhmus and
• Karine Mougin

Beilstein J. Nanotechnol. 2018, 9, 660–670, doi:10.3762/bjnano.9.61

• , electrostatic forces, H-bonding and capillary forces are crucial to understand the dependence of adhesive force on the type of functional layer. First, the high adhesion values of –SH and –NH2 coated NPs are explainable by the high polarizability of the molecules. Hence, adhesion forces acting between

• hydrophilic NPs (including –SH, –COOH, –OH and –NH2 tail groups) and the silicon probe seem to be controlled mainly by attractive forces such as electrostatic and H-bonding as well as capillary forces. For NPs size varying from 5 to 20 nm diameters, the range of adhesion values of –NH2 coated NPs is quite

• hydrophobic tail group. The spread of these values is relatively large, in terms of absolute values for small NPs. This behavior can be explained by the contribution of different attractive forces controlling the interactions between Au NPs and Si AFM sharp probe. Obviously, electrostatic and H-bonding

Co-reductive fabrication of carbon nanodots with high quantum yield for bioimaging of bacteria

• Jiajun Wang,
• Xia Liu,
• Gesmi Milcovich,
• Tzu-Yu Chen,
• Edel Durack,
• Sarah Mallen,
• Yongming Ruan,
• Xuexiang Weng and
• Sarah P. Hudson

Beilstein J. Nanotechnol. 2018, 9, 137–145, doi:10.3762/bjnano.9.16

• carbon-based structure due to the intermolecular H-bonding. Subsequently, a condensation process takes place, forming C-dots. Meanwhile, the gradual, homogenous release of OH− and NH3 from urea hydrolysis [21] and H2S from thiourea led to the formation of C-dots under alkaline, reducing and hydrothermal

Identifying the nature of surface chemical modification for directed self-assembly of block copolymers

• Laura Evangelio,
• Federico Gramazio,
• Matteo Lorenzoni,
• Michaela Gorgoi,
• Francisco Miguel Espinosa,
• Ricardo García,
• Francesc Pérez-Murano and
• Jordi Fraxedas

Beilstein J. Nanotechnol. 2017, 8, 1972–1981, doi:10.3762/bjnano.8.198

• line (continuous red line), with a binding energy of 285.1 eV corresponds to C–C and C–H bonding. The continuous blue line in Figure 3a, with a binding energy of 286.2 eV, corresponds to the hydroxyl bonding of the PS–OH. The π–π* shake-up feature at 291.9 eV, characteristic of a pure PS spectrum

• spectra show the characteristic 287.5 eV (continuous green line) and 290 eV (continuous magenta line) peaks of PMMA, corresponding to O–CH3 and O–C=O configurations, respectively, with a 1:1 stoichiometric relationship [21]. The continuous red and blue lines correspond to C–C/C–H bonding and to hydroxyl

Miniemulsion copolymerization of (meth)acrylates in the presence of functionalized multiwalled carbon nanotubes for reinforced coating applications

• Bertha T. Pérez-Martínez,
• Lorena Farías-Cepeda,
• Víctor M. Ovando-Medina,
• José M. Asua,
• Lucero Rosales-Marines and
• Radmila Tomovska

Beilstein J. Nanotechnol. 2017, 8, 1328–1337, doi:10.3762/bjnano.8.134

• grafted onto either the PVP or the surface of MWCNTs, as it has been reported in the emulsion polymerization of styrene initiated with KPS in the presence of MWCNTs [40] and in the emulsion polymerization of MMA/BA with graphene filler [41]. The second reason for such a high gel content may be the H

• -bonding created between the PVP-stabilized MWCNTs and the OH groups of the polymer (due to presence of HEMA) upon film formation. Characterization of films cast from hybrid latexes SEM images of the fractured surface of the composite films cast from hybrid latexes at different air-sonicated MWCNT loads

Tunable longitudinal modes in extended silver nanoparticle assemblies

• Serene S. Bayram,
• Klas Lindfors and
• Amy Szuchmacher Blum

Beilstein J. Nanotechnol. 2016, 7, 1219–1228, doi:10.3762/bjnano.7.113

• AgNPs modified by increasing amounts of the three H-bonding ligands: cysteamine, dithiothreitol (DTT) and cysteine. All spectra show a band at 398–410 nm, corresponding to the expected local plasmon resonance for spherical silver nanoparticles of this size. With the addition of a ditopic ligand, this

• chains involved in these structures, or insufficient inter-particle coupling, which greatly depends on the inter-particle gap. The ligands with high affinity to silver chosen here are short and can potentially bind and drive particles together via H-bonding. It is worth noting that adding a certain

• File 1). Different pH values were used to test how H-bonding modulates the self-assembly and contributes to the stability of the assemblies. Protonating H-bonding moieties should reduce the ligand polarity and hence prevent nanoparticle assembly. Figure 5A clearly demonstrates this for AgNPs–cysteamine

Hierarchical coassembly of DNA–triptycene hybrid molecular building blocks and zinc protoporphyrin IX

• Rina Kumari,
• Sumit Singh,
• Mohan Monisha,
• Sourav Bhowmick,
• Anindya Roy,
• Neeladri Das and
• Prolay Das

Beilstein J. Nanotechnol. 2016, 7, 697–707, doi:10.3762/bjnano.7.62

• . The in silico model represents the conjugation of 2,6,14-triptycenetripropiolic acid (TPA) with ssDNA to form the fiber-like composite DNA nanostructure. This model explains how each repeating unit of TPA coupled with ssDNA would associate through H-bonding between the bases to form DNA nanofibers

Pure hydrogen low-temperature plasma exposure of HOPG and graphene: Graphane formation?

• Baran Eren,
• Dorothée Hug,
• Laurent Marot,
• Rémy Pawlak,
• Marcin Kisiel,
• Roland Steiner,
• Dominik M. Zumbühl and
• Ernst Meyer

Beilstein J. Nanotechnol. 2012, 3, 852–859, doi:10.3762/bjnano.3.96

• after soft annealing (Figure 3a). It was already stated that even though there is C–H bonding, this change in the shape of the C 1s peak is not due to a chemical shift as a result of this bonding, but is rather due to the increase in the difference between upper valence band edge and the Fermi level (Ef

• diminished (Figure 1d, 3rd panel), where this partial suppression is due to flattening; however the contribution from the atomic rearrangement of the C atoms, which is possibly due to the C–H bonding, is still present. The shift of the σ peak positions towards sp3 hybridization supports this assumption

Dipole-driven self-organization of zwitterionic molecules on alkali halide surfaces

• Laurent Nony,
• Franck Bocquet,
• Franck Para,
• Frédéric Chérioux,
• Eric Duverger,
• Frank Palmino,
• Vincent Luzet and
• Christian Loppacher

Beilstein J. Nanotechnol. 2012, 3, 285–293, doi:10.3762/bjnano.3.32

• directional, as for example by H-bonding [11] or by covalent bonding [12][13], layer-by-layer growth or even one-dimensional growth [14] was observed. When the MS interaction dominates, monolayer (ML) growth can be obtained more easily. For example, a few systems have been reported in which a metastable phase

• there was a significant MM interaction, as is, for example, the case for molecules with strong H-bonding [11]. It is therefore very unlikely that the molecules adopt the scorpion-like conformation, as first the molecular distances do not fit the experimental ones, and second, the formation of a

STM study on the self-assembly of oligothiophene-based organic semiconductors

• Elena Mena-Osteritz,
• Marta Urdanpilleta,
• Erwaa El-Hosseiny,
• Berndt Koslowski,
• Paul Ziemann and
• Peter Bäuerle

Beilstein J. Nanotechnol. 2011, 2, 802–808, doi:10.3762/bjnano.2.88

• ordering on the substrate. Keywords: 2-D crystals; functionalized oligothiophenes; H-bonding; intermolecular interaction; scanning tunneling microscopy; Introduction In the last few decades conjugated organic polymers and oligomers have attracted a broad interest due to their excellent electronic and

• arrange as a dimer, with their carboxylic acid functional groups facing each other due to H-bonding, like in the case of H4TCOOH. With the help of theoretical calculations a model of the molecular packing can be obtained (Figure 3, right). The unit-cell parameters are calculated to be a = 5.4 nm, b = 2.9

• demonstrates a major contribution of intermolecular van der Waals and H-bonding interactions to the stabilization of the monolayer on the HOPG surface. Conformational changes of the H12TCOOH molecules at the domain boundaries of the adsorbate were shown for the first time for self-assembling oligothiophenes

Self-organizing bioinspired oligothiophene–oligopeptide hybrids

• Alexey K. Shaytan,
• Eva-Kathrin Schillinger,
• Elena Mena-Osteritz,
• Sylvia Schmid,
• Pavel G. Khalatur,
• Peter Bäuerle and
• Alexei R. Khokhlov

Beilstein J. Nanotechnol. 2011, 2, 525–544, doi:10.3762/bjnano.2.57

• twisted short fibers of 1' on the mica substrate. Due to the hybrid nature of 1', two opposing intermolecular interactions could dominate the self-assembly process, namely H-bonding and π–π stacking. Thus, a solvent-guided strategy was employed in order to gain control over the self-assembly process