Atomic structure of Mg-based metallic glass investigated with neutron diffraction, reverse Monte Carlo modeling and electron microscopy

• Rafał Babilas,
• Dariusz Łukowiec and
• Laszlo Temleitner

Beilstein J. Nanotechnol. 2017, 8, 1174–1182, doi:10.3762/bjnano.8.119

• pair correlation functions and coordination numbers, which illustrated some types of cluster packing. The N = 9 clusters correspond to the tri-capped trigonal prisms, which are one of Bernal’s canonical clusters, and atomic clusters with N = 6 and N = 12 are suitable for octahedral and icosahedral

• separation in the studied glass after heat treatment. The HAADF mode allows for the observation of randomly distributed, dark contrast regions of about 4–6 nm. The interplanar spacing identified for the orthorhombic Mg2Cu crystalline phase is similar to the value of the first coordination shell radius from

• coordination shell. The R can be calculated by using following formula λ/2sinθ*, where 2θ* is the scatter angle at the halo maximum and λ is the wavelength [25]. The value of R = 0.242 nm can be compared with the atomic radii of the Mg, Cu, Y and Ni elements, which is 0.160, 0.128, 0.180 and 0.124 nm

Preparation of thick silica coatings on carbon fibers with fine-structured silica nanotubes induced by a self-assembly process

• Benjamin Baumgärtner,
• Hendrik Möller,
• Thomas Neumann and
• Dirk Volkmer

Beilstein J. Nanotechnol. 2017, 8, 1145–1155, doi:10.3762/bjnano.8.116

• ], or by introducing acidic and basic additives that can interact with LPEI [22] and other proton donors [23]. Further modification of the silica morphology can be achieved by adding metal ions that form complexes with the secondary amine groups of LPEI [24][25][26]. The coordination interactions

Structural properties and thermal stability of cobalt- and chromium-doped α-MnO₂ nanorods

• Romana Cerc Korošec,
• Polona Umek,
• Alexandre Gloter,
• Jana Padežnik Gomilšek and
• Peter Bukovec

Beilstein J. Nanotechnol. 2017, 8, 1032–1042, doi:10.3762/bjnano.8.104

• is 3+ as in Cr2O3 [29]. The spectra of the samples at the same edge are very similar, showing no major changes of metal coordination during the heating. There is a slight shift of the Mn and Co edges in the Co-90 sample toward lower energies, i.e., to a smaller oxidation number. In the spectrum of Cr

• simultaneous fits of all spectra of the same ion. In the three final models, the number of oxygen neighbors was set to 6 in all cases. For all spectra in the model, we used the same values for the energy shift E0, the amplitude parameter S02, path lengths ri and coordination numbers Ni of manganese neighbors

• metal oxidation states. As already mentioned, doping of the α-MnO2 structure can take place either in the Mn–O framework where dopant ions substitute manganese ions, or in the tunnels where they substitute potassium cations. This depends on the ionic radii of the dopant ions and their coordination [14

Study of the correlation between sensing performance and surface morphology of inkjet-printed aqueous graphene-based chemiresistors for NO₂ detection

• F. Villani,
• C. Schiattarella,
• T. Polichetti,
• R. Di Capua,
• F. Loffredo,
• B. Alfano,
• M. L. Miglietta,
• E. Massera,
• L. Verdoliva and
• G. Di Francia

Beilstein J. Nanotechnol. 2017, 8, 1023–1031, doi:10.3762/bjnano.8.103

• the case of graphene the active sites are represented by sp2 carbon atoms (low interaction energy) and defects such as vacancies, dangling bonds, coordination defects and functionalizations (high interaction energy). In the specific case of our LPE graphene, defects are mostly ascribed to edge defects

Tuning the spin coherence time of Cu(II)−(bis)oxamato and Cu(II)−(bis)oxamidato complexes by advanced ESR pulse protocols

• Ruslan Zaripov,
• Evgeniya Vavilova,
• Iskander Khairuzhdinov,
• Kev Salikhov,
• Violeta Voronkova,
• Mohammad A. Abdulmalic,
• Francois E. Meva,
• Saddam Weheabby,
• Tobias Rüffer,
• Bernd Büchner and
• Vladislav Kataev

Beilstein J. Nanotechnol. 2017, 8, 943–955, doi:10.3762/bjnano.8.96

• some of us [10][28]. Due to the coordination of two deprotonated amido nitrogen atoms and two carboxylate oxygen atoms for P1 the formation of a CuO2N2 coordination unit was observed [28], cf. Figure 1. It is to note, that not only the CuO2N2 unit but the whole complex fragment P1 was observed as

• as well [28]. For P2, due to the coordination of four deprotonated amino nitrogen atoms, the formation of a CuN4 coordination unit was observed [10], cf. Figure 1. Compared to P1, deviations from planarity of the CuN4 unit and of P2 are significantly larger [10]. Furthermore, P2 should be C1

Bio-inspired micro-to-nanoporous polymers with tunable stiffness

• Julia Syurik,
• Ruth Schwaiger,
• Prerna Sudera,
• Stephan Weyand,
• Siegbert Johnsen,
• Gabriele Wiegand and
• Hendrik Hölscher

Beilstein J. Nanotechnol. 2017, 8, 906–914, doi:10.3762/bjnano.8.92

• ImageJ plugin [24]. During the analysis, each pore was fitted with a sphere with the centre coordinates (X, Y) and radius R. The mean thickness of the polymer wall between the pore of interest I and the N closest pores is defined as Based on the SEM images the coordination number N was chosen to be

Probing the magnetic superexchange couplings between terminal Cu^II ions in heterotrinuclear bis(oxamidato) type complexes

• Mohammad A. Abdulmalic,
• Saddam Weheabby,
• Francois E. Meva,
• Azar Aliabadi,
• Vladislav Kataev,
• Bernd Büchner,
• Frederik Schleife,
• Berthold Kersting and
• Tobias Rüffer

Beilstein J. Nanotechnol. 2017, 8, 789–800, doi:10.3762/bjnano.8.82

• form a planar-quadratic NiN4 coordination environment. Two of them belong to the N,N’-o-phenylene bridges of 1A–3A (1A/2A: N1 and N3. 3A: N1 and N1A) and are referred to in the following as Naryl donor atoms. The other two belong to the alkyl-substituted amide functions of 1A–3A (1A/2A: N2 and N4. 3A

• -containing bis(oxamato) complex [n-Bu4N]2[Ni(opba)] (11) [23] and the related bis(oxamidato) type complex [Ph4P]2[Ni(opboMe2)] (12) [9] the following observation has been made: Three of bond angles of the central NiN2O2/NiN4 coordination units are small (11: 85.79(8)–86.18(5)°; 12: 82.7(3)–84.7(3)°), while

• complexes as described in [15]. Thus, the terminal CuII ions of 1A–3A are each coordinated by two O donor atoms of the oxamidato groups as well as three N donor atoms of the pmdta ligands to form CuN3O2 coordination units closer to the ideal square-pyramidal compared to the ideal trigonal-bipyramidal

Tailoring bifunctional hybrid organic–inorganic nanoadsorbents by the choice of functional layer composition probed by adsorption of Cu²⁺ ions

• Veronika V. Tomina,
• Inna V. Melnyk,
• Yuriy L. Zub,
• Aivaras Kareiva,
• Miroslava Vaclavikova,
• Gulaim A. Seisenbaeva and
• Vadim G. Kessler

Beilstein J. Nanotechnol. 2017, 8, 334–347, doi:10.3762/bjnano.8.36

• were further investigated by electron paramagnetic resonance (EPR) and electron spectroscopy of diffuse reflectance (ESDR) spectroscopy using Cu2+ ion coordination as a probe. The composition and structure of the emerging surface complexes were determined and used to provide an insight into the

• are available for H+ sorption. The intrinsic structure and reactivity of the aminopropyl groups were investigated using Cu2+ adsorption. In the view that EPR spectra of the copper(II) complexes provide direct insight into the coordination of these cations, they were thus revealing the spatial

• adsorption isotherms are presented in Figure 5. To determine the formal coordination surrounding of Cu(II) ions in the adsorption layer, the isotherms were plotted in the form of CsCu:CsR as a function of C0Cu:C0R (Figure 6, Figure S8, Supporting Information File 1). These data were complemented by EPR and

From iron coordination compounds to metal oxide nanoparticles

• Mihail Iacob,
• Carmen Racles,
• Codrin Tugui,
• George Stiubianu,
• Adrian Bele,
• Liviu Sacarescu,
• Daniel Timpu and
• Maria Cazacu

Beilstein J. Nanotechnol. 2016, 7, 2074–2087, doi:10.3762/bjnano.7.198

• light scattering. The parameters were varied within each route to fine tune the size and shape of the formed nanoparticles. Keywords: iron coordination compounds; mixed oxide nanoparticles; morphology control; nanoparticle shape control; optimization procedure; Introduction The iron oxide-based

• ]. As precursors for obtaining iron oxides or mixed oxides thereof with other metals, their salts are most often used. In recent years, particular attention was paid to the use of coordination compounds as precursors, since they offer a number of advantages such as increased solubility, and better

Effect of Anderson localization on light emission from gold nanoparticle aggregates

• Mohamed H. Abdellatif,
• Marco Salerno,
• Gaser N. Abdelrasoul,
• Ioannis Liakos,
• Alice Scarpellini,
• Sergio Marras and
• Alberto Diaspro

Beilstein J. Nanotechnol. 2016, 7, 2013–2022, doi:10.3762/bjnano.7.192

• difference for the 4f7/2 core level of 0.06 eV, and for the core level 4f5/2 of 0.14 eV. These differences are attributed to the different coordination number induced by the geometrical factors of the aggregates [17], i.e., their likely different aggregation density. The geometrical factors determine the

• excitation at 300 nm wavelength. Figure 2a shows that the samples differ only in the aggregation pattern and mass, in which the coordination number and geometry are supposed to be the main difference, which is confirmed by the shift in the XPS data in Figure 1. In Figure 3, the PL spectra of the AuNPs in all

• localization. Different substrates are found to induce different aggregation density and coordination number, which is confirmed from the shift in the XPS data. The difference in aggregation induces changes in the dephasing time, linewidth and particle plasmon resonance position. The AuNPs on quartz show a

Facile fabrication of luminescent organic dots by thermolysis of citric acid in urea melt, and their use for cell staining and polyelectrolyte microcapsule labelling

• Nadezhda M. Zholobak,
• Anton L. Popov,
• Alexander B. Shcherbakov,
• Nelly R. Popova,
• Mykhailo M. Guzyk,
• Valeriy P. Antonovich,
• Alla V. Yegorova,
• Yuliya V. Scrypynets,
• Inna I. Leonenko,
• Alexander Ye. Baranchikov and
• Vladimir K. Ivanov

Beilstein J. Nanotechnol. 2016, 7, 1905–1917, doi:10.3762/bjnano.7.182

• urea thermolysis. Thus, the resulting O-dot is a set of primary fluorophores bound by covalent or intermolecular (coordination, donor–acceptor, hydrogen) bonds, for example, forming a polymer-like structure [47], so that the particles formed can be identified as clusters of independent fluorophores [19

In situ formation of reduced graphene oxide structures in ceria by combined sol–gel and solvothermal processing

• Jingxia Yang,
• Johannes Ofner,
• Bernhard Lendl and
• Ulrich Schubert

Beilstein J. Nanotechnol. 2016, 7, 1815–1821, doi:10.3762/bjnano.7.174

• that part of the defects were repaired and rGO was formed. Compared with the COO groups of GO (Figure 3b), the positions of C=O bands shifted from 1719 cm−1 to 1492 cm−1. The shifts are most likely caused by coordination of graphene to CeO2 through the residual COO groups. The IR spectrum of the sample

Microwave synthesis of high-quality and uniform 4 nm ZnFe₂O₄ nanocrystals for application in energy storage and nanomagnetics

• Christian Suchomski,
• Ben Breitung,
• Ralf Witte,
• Michael Knapp,
• Sondes Bauer,
• Tilo Baumbach,
• Christian Reitz and
• Torsten Brezesinski

Beilstein J. Nanotechnol. 2016, 7, 1350–1360, doi:10.3762/bjnano.7.126

• coordination sites are randomly occupied in a 1:1 ratio by the A and B cations and the tetrahedral sites are only occupied by the B cations in inverse spinels (λ = 1). In both cases, the O2− ions form a cubic close-packed structure and reside on 32e sites. However, nanoscale spinel ferrites prepared by wet

On the pathway of cellular uptake: new insight into the interaction between the cell membrane and very small nanoparticles

• Claudia Messerschmidt,
• Daniel Hofmann,
• Anja Kroeger,
• Katharina Landfester,
• Volker Mailänder and
• Ingo Lieberwirth

Beilstein J. Nanotechnol. 2016, 7, 1296–1311, doi:10.3762/bjnano.7.121

Multiwalled carbon nanotube hybrids as MRI contrast agents

• Nikodem Kuźnik and
• Mateusz M. Tomczyk

Beilstein J. Nanotechnol. 2016, 7, 1086–1103, doi:10.3762/bjnano.7.102

• ligand was coupled with a lipid chain, which was expected to enhance adsorption on the surface of the nanotube. The heptadentate DTPA ligand (L1), in turn, secured permanent coordination of Gd3+ in the new hybrid Gd-L1/MWCNT#Richard. Vittorio non-covalently combined pristine MWCNT with mesenchymal stem

• groups and opens up many possibilities for further functionalization, decoration, substitution or direct coordination of metals and their compounds. Carboxylic, hydroxyl (both phenol and alkyl alcohol) and carbonyl groups are formed on the surface and edges of the oxidized nanotubes oMWCNT. These

• model for coordination of the iron oxide nanoparticles (SPIO-oMWCNT#Lamanna) [37]. This model was obtained by ligand exchange of SPIO–fatty acid salts to the acidic surface of the oMWCNT. Covalent bonding, presented by Chen, was also done by dehydrating crosslinking [40]. First, SPIO was bonded to the

Phenalenyl-based mononuclear dysprosium complexes

• Yanhua Lan,
• Andrea Magri,
• Olaf Fuhr and
• Mario Ruben

Beilstein J. Nanotechnol. 2016, 7, 995–1009, doi:10.3762/bjnano.7.92

• sublimation onto surfaces, an important prerequisite for ongoing studies in molecular spintronics. Keywords: coordination complexes; dysprosium; magnetism; mononuclear; phenalenyl-based; Introduction In the pioneering studies of next-generation information processing devices, single-molecule magnets (SMMs

• , resulting in [Dy(PLN)3(H2O)2]·H2O (3). Due to the presence of non-depronated ligands and solvent molecules in the coordination sphere, all these complexes decomposed at ca. 350 °C during the sublimation process in high vacuum (10−6 mbar). Sublimable lanthanides quinolinates have been prepared by Katkova et

• et al. [58][59] for the two-coordinate complexes of Dy(III), large values of the effective energy barrier, Ueff, are immediately diminished if axial ligation is disrupted by solvent coordination. Considering this assumption, an increase of the magnetic relaxation barrier so as to blocking

The hydraulic mechanism in the hind wing veins of Cybister japonicus Sharp (order: Coleoptera)

• Jiyu Sun,
• Wei Wu,
• Mingze Ling,
• Bharat Bhushan and
• Jin Tong

Beilstein J. Nanotechnol. 2016, 7, 904–913, doi:10.3762/bjnano.7.82

• simulation in this is the analysis of the motion of veins, mainly focusing on the vein expansion process, and the variation of the flow field and coordination. Thus, when defining the parameters for the simulation study, the model was set to a rigid body. If we are only concerned about the whole movement of

Coupled molecular and cantilever dynamics model for frequency-modulated atomic force microscopy

• Michael Klocke and
• Dietrich E. Wolf

Beilstein J. Nanotechnol. 2016, 7, 708–720, doi:10.3762/bjnano.7.63

• in significant amounts. However, the adhesion hysteresis becomes weaker and ultimately ceases to exist: The increased short-range attraction makes it more and more difficult to let the projection atom jump from the substrate towards the approaching tip. The high coordination number wins over the

Finite-size effect on the dynamic and sensing performances of graphene resonators: the role of edge stress

• Chang-Wan Kim,
• Mai Duc Dai and
• Kilho Eom

Beilstein J. Nanotechnol. 2016, 7, 685–696, doi:10.3762/bjnano.7.61

• the coordination numbers of bulk atoms and edge atoms of graphene. It is shown that as the size of a graphene resonator decreases, the edge stress depending on the edge structure of a graphene resonator plays a critical role on both its dynamic and sensing performances. We found that the resonance

• nanometer scale, the edge atoms, which have different bond coordination numbers than bulk atoms, begin to play a vital role in the dynamic behavior of graphene. In particular, this imbalance between the coordination numbers of edge atoms and bulk atoms gives rise to edge stress on a graphene sheet [26][27

Investigating organic multilayers by spectroscopic ellipsometry: specific and non-specific interactions of polyhistidine with NTA self-assembled monolayers

• Ilaria Solano,
• Pietro Parisse,
• Ornella Cavalleri,
• Federico Gramazio,
• Loredana Casalis and
• Maurizio Canepa

Beilstein J. Nanotechnol. 2016, 7, 544–553, doi:10.3762/bjnano.7.48

• the new medium, the samples were immersed in 0.5 M EDTA (pH 8.6) solution for 15 min in order to remove undesired divalent metal ions and rinsed in MilliQ water. Soaking the NTA samples in a solution of 10 mM NiCl2 in 20 mM Tris (pH 7.4) for 5–10 min allowed for the coordination of NTA COOH groups

First-principles study of the structure of water layers on flat and stepped Pb electrodes

• Xiaohang Lin,
• Ferdinand Evers and
• Axel Groß

Beilstein J. Nanotechnol. 2016, 7, 533–543, doi:10.3762/bjnano.7.47

• adsorption energy per water molecule further increases because of the higher coordination upon formation of the second layer. Next, we have considered water structures on stepped Pb(311), Pb(511) and Pb(711) surfaces. There are only few studies addressing the structure of water at stepped metal surfaces [16

Rigid multipodal platforms for metal surfaces

• Michal Valášek,
• Marcin Lindner and
• Marcel Mayor

Beilstein J. Nanotechnol. 2016, 7, 374–405, doi:10.3762/bjnano.7.34

• loosely packed films, commonly associated with weakly bound sulfur, unbound sulfur, disulfide moieties or a week coordination-type binding to the substrate. However, it should be noted that despite a better arrangement, a higher packing density and a significantly lower level of contaminations in the

Case studies on the formation of chalcogenide self-assembled monolayers on surfaces and dissociative processes

• Yongfeng Tong,
• Tingming Jiang,
• Azzedine Bendounan,
• Makri Nimbegondi Kotresh Harish,
• Angelo Giglia,
• Stefan Kubsky,
• Fausto Sirotti,
• Luca Pasquali,
• Srinivasan Sampath and
• Vladimir A. Esaulov

Beilstein J. Nanotechnol. 2016, 7, 263–277, doi:10.3762/bjnano.7.24

• [105][106][107][108][109][110]. This has been related to low coordination sites [109][110] and to the density of steps and different kinds of surface defects. Variability, to the extent of dissociation processes, could thus be expected depending upon the structure of the surface. Selenophene on Cu(111

• the preparation procedures appear to be reasonably good. We would relate this at least partly to surface morphology, since reactivity can be large at low coordination sites and depends on the density of steps and different kinds of surface defects. It is important to delineate this from the point of

Single-molecule magnet behavior in 2,2’-bipyrimidine-bridged dilanthanide complexes

• Wen Yu,
• Frank Schramm,
• Eufemio Moreno Pineda,
• Yanhua Lan,
• Olaf Fuhr,
• Jinjie Chen,
• Hironari Isshiki,
• Wolfgang Wernsdorfer,
• Wulf Wulfhekel and
• Mario Ruben

Beilstein J. Nanotechnol. 2016, 7, 126–137, doi:10.3762/bjnano.7.15

• symmetric shape. In combination these properties stabilize the symmetric coordination on both 1,4-diimine coordination sites. For homo-dinuclear complexes, the electronic or magnetic interaction between two metal centers remains unperturbed by asymmetry. Additionally, the coordination of the peripheral

• from the tmhd and two nitrogen atoms of the bpm, resulting in an O6N2 donor set. The coordination polyhedron around the lanthanide ion can be most closely described as a square antiprism (see Supporting Information File 1, Table S1) (D4d, CShM of 0.605) [35][36]. The coordination polyhedron, as

• defined by the aromatic pyrimidine rings of the bpm ligand, creating a chair-like conformation (Figure 1). The point group of the molecules varies between C1 and Ci depending on the degree of distortion within the molecule. The two coordination spheres within each dinuclear compound are more or less

Surface-site reactivity in small-molecule adsorption: A theoretical study of thiol binding on multi-coordinated gold clusters

• Elvis C. M. Ting,
• Tatiana Popa and
• Irina Paci

Beilstein J. Nanotechnol. 2016, 7, 53–61, doi:10.3762/bjnano.7.6

• cluster with a broad range of metal site coordination numbers, from 3 to 9, and examined the binding conditions of methylthiol at the various sites. Conclusion: We found that despite the small molecular size, the dispersive interactions of the backbone are a determining factor in the molecular affinity

• for various sites. Kink sites were preferred binding locations due to the availability of multiple surface atoms for dispersive interactions with the methyl groups, whereas tip sites experienced low affinity, despite having low coordination numbers. Keywords: coordination; gold clusters; methylthiol

• in aminoacid or peptide behavior upon adsorption on non-ideal surfaces, i.e., substrates with adatoms, high-Miller-index facets or surface curvature have been examined individually [41][42][43][44][45], but no rigorous studies of the dependence of surface binding on site reactivity or coordination