Molecular dynamics modeling of the influence forming process parameters on the structure and morphology of a superconducting spin valve

• Alexander Vakhrushev,
• Aleksey Fedotov,
• Vladimir Boian,
• Roman Morari and
• Anatolie Sidorenko

Beilstein J. Nanotechnol. 2020, 11, 1776–1788, doi:10.3762/bjnano.11.160

• structures, but also construct spatial profiles and distributions by the target parameter, e.g. height or coordination number. Results and Discussion A series of numerical experiments on modeling the multilayer hybrid structure formation processes based on cobalt and niobium were performed. The variable

• different spatial orientations. The blurring of the contact area between the layers and a less even surface profile compared to niobium are noticeable. A quantitative characteristic of the material spatial structure can be obtained by calculating the coordination number. The coordination number in

• crystallography reflects the number of nearby equally distant atoms of the same type in the crystal lattice. The number of nearest neighbors determines the material packing density. For different types of crystal lattices, the coordination number will be different. The cubic volume-centered lattice

Absorption and photoconductivity spectra of amorphous multilayer structures

• Oxana Iaseniuc and
• Mihail Iovu

Beilstein J. Nanotechnol. 2020, 11, 1757–1763, doi:10.3762/bjnano.11.158

• ]. The physical properties of covalently bonded glasses are determined by the mean coordination number Z (average number of covalent bonds per atom) [4]. It is well known that the functionality of many photonic and optoelectronic devices is based on the intrinsic photoelectric effect. The photocurrent

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

• be detected (Figure 3b). This latter observation remains true for larger coverages at which the size of such agglomerates is increased. The situation for 2 is comparable to adsorption properties observed on Cu(111) when metal-organic coordination is not activated [10]. However, different to Cu(111

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

• ][33], decouple perylenetetracarboxylic dianhydride (PTCDA) aggregates [34], study interfacial charge transfer in binary phthalocyanine arrays [35], probe vibronic conductance in oligophenylenes [36], and control the charge state of F16CoPc [37]. Studies focusing on the preparation of coordination

Structural and electronic properties of SnO₂ doped with non-metal elements

• Jianyuan Yu,
• Yingeng Wang,
• Yan Huang,
• Xiuwen Wang,
• Jing Guo,
• Jingkai Yang and
• Hongli Zhao

Beilstein J. Nanotechnol. 2020, 11, 1321–1328, doi:10.3762/bjnano.11.116

• structure with space group P42/mnm. There are six O2− ions as nearest neighbors of each Sn4+ site, and three Sn4+ ions as nearest neighbors of each O2− ion. Hence, the coordination numbers for Sn and O are six and three, respectively. The CASTEP package was used to construct a 3 × 2 × 1 SnO2 supercell. To

Role of redox-active axial ligands of metal porphyrins adsorbed at solid–liquid interfaces in a liquid-STM setup

• Thomas Habets,
• Sylvia Speller and
• Johannes A. A. W. Elemans

Beilstein J. Nanotechnol. 2020, 11, 1264–1271, doi:10.3762/bjnano.11.110

• manganese center of the porphyrin moiety serves as a coordination site for an oxygen atom, which subsequently is inserted into the double bond of the alkene. A variety of oxygen donors can be used to oxidize the manganese center to an active manganese-oxo (Mn=O) species, such as iodosylbenzene, hypochlorite

• no direct metal atom coordination from the substrate is possible. To our surprise we found a strong influence of the solvent on the success of imaging the molecules with STM. When n-tetradecane was used as the solvent, monolayers of MnTUPCl readily formed on Au(111) (Figure 1c), while poorly

• forward two possible explanations for the reduction of the manganese centers of the molecules of MnTUPCl at the Au(111)–n-tetradecane interface in a liquid-STM, i.e., the coordination of a gold atom from the top-most gold layer to MnTUPCl in an axial ligand-like fashion, or an active reduction as the

Photothermally active nanoparticles as a promising tool for eliminating bacteria and biofilms

• Mykola Borzenkov,
• Piersandro Pallavicini,
• Angelo Taglietti,
• Laura D’Alfonso,
• Maddalena Collini and
• Giuseppe Chirico

Beilstein J. Nanotechnol. 2020, 11, 1134–1146, doi:10.3762/bjnano.11.98

• materials, nanoscale metal chalcogenides (Cu2−xE, E = S, Se, Te), transition metal dichalcogenide nanostructures (e.g., WS2, MoS2), metal-oxide nanoparticles (e.g., WO3), and nanoscale coordination compounds (e.g., Prussian blue nanoparticles) [33][36][37][38]. The photothermal properties of these

Straightforward synthesis of gold nanoparticles by adding water to an engineered small dendrimer

• Sébastien Gottis,
• Régis Laurent,
• Vincent Collière and
• Anne-Marie Caminade

Beilstein J. Nanotechnol. 2020, 11, 1110–1118, doi:10.3762/bjnano.11.95

• Sebastien Gottis Regis Laurent Vincent Colliere Anne-Marie Caminade Laboratoire de Chimie de Coordination du CNRS, 205 Route de Narbonne, BP 44099, 31077 Toulouse Cedex 4, France LCC-CNRS, Université de Toulouse, CNRS, Toulouse, France Laboratoire de Réactivité et Chimie des Solides, UMR CNRS/UPJV

Nickel nanoparticles supported on a covalent triazine framework as electrocatalyst for oxygen evolution reaction and oxygen reduction reactions

• Secil Öztürk,
• Yu-Xuan Xiao,
• Dennis Dietrich,
• Beatriz Giesen,
• Juri Barthel,
• Jie Ying,
• Xiao-Yu Yang and
• Christoph Janiak

Beilstein J. Nanotechnol. 2020, 11, 770–781, doi:10.3762/bjnano.11.62

• ]. CTFs can be synthesized through different methods and under different reaction conditions, which enables the control over porosity and surface area [29][30][31][32]. The nitrogen moieties within the CTFs can provide coordination anchors or support for metal species [33][34]. They allow for the

• with lone electron pairs, which enable a coordination of nickel, a high chemical and thermal stability arising from the covalently bonded framework as well as high surface area and large pore volume, which allow for a facile molecular transport of reactants and products. We report a route to Ni

Silver-decorated gel-shell nanobeads: physicochemical characterization and evaluation of antibacterial properties

• Marta Bartel,
• Katarzyna Markowska,
• Marcin Strawski,
• Krystyna Wolska and
• Maciej Mazur

Beilstein J. Nanotechnol. 2020, 11, 620–630, doi:10.3762/bjnano.11.49

• than that with sulfonic groups. Thus, the coordination of silver nanoparticles is preferred in terms of thiol rather than sulfonic groups. If the above scenario is correct, one can deduce that, due to the conversion of ca. 55% of the sulfonic groups, the charge accumulated on the particles (due to

Interfacial charge transfer processes in 2D and 3D semiconducting hybrid perovskites: azobenzene as photoswitchable ligand

• Nicole Fillafer,
• Tobias Seewald,
• Lukas Schmidt-Mende and
• Sebastian Polarz

Beilstein J. Nanotechnol. 2020, 11, 466–479, doi:10.3762/bjnano.11.38

• [45]. It is well known, that vibrations of surface-bound amines are quenched through coordination. Signals at 832, 765, 727 and 685 cm−1 can be assigned to the aromatic vibrations of the phenyl rings of azobenzene. These significant vibrations can as well be found in 3D-AzoC2 (blue), which indicates a

• successful functionalization. The UV–vis absorption spectra, shown in Figure 4F, confirm these findings. 3D-AzoC2 shows absorption maxima at 518 and 324 nm. The absorption at 518 nm is assigned to the excitonic bandgap of the perovskite. The absorption at 324 nm indicates the coordination of the azobenzene

• , Figures S10–S12), the photoswitching reaction is strongly facilitated. The improvement can be observed for all ligands (Table 4). It can be concluded that the photoswitching from trans- to cis-isomer is enhanced through the coordination of the azobenzene to the semiconductor. Photoswitching as a

Nanoparticles based on the zwitterionic pillar[5]arene and Ag⁺: synthesis, self-assembly and cytotoxicity in the human lung cancer cell line A549

• Dmitriy N. Shurpik,
• Denis A. Sevastyanov,
• Pavel V. Zelenikhin,
• Pavel L. Padnya,
• Vladimir G. Evtugyn,
• Yuriy N. Osin and
• Ivan I. Stoikov

Beilstein J. Nanotechnol. 2020, 11, 421–431, doi:10.3762/bjnano.11.33

• presence of a preorganized macrocyclic structure makes the process of controlled supramolecular self-assembly possible with certain coordination sites. In this paper, we report the first example of using nontoxic, water-soluble pillar[5]arene derivatives containing sulfobetaine fragments to produce

DFT calculations of the structure and stability of copper clusters on MoS₂

• Cara-Lena Nies and
• Michael Nolan

Beilstein J. Nanotechnol. 2020, 11, 391–406, doi:10.3762/bjnano.11.30

• determined for the Cu atoms on the defective monolayer are shown in Table 8. The computed Bader charge at the Cu atom at site 1 indicates little oxidation of the Cu atom. This arises due to coordination of Cu to three Mo atoms so that oxidation of the Cu is not favourable. The other binding sites have

High-performance asymmetric supercapacitor made of NiMoO₄ nanorods@Co₃O₄ on a cellulose-based carbon aerogel

• Meixia Wang,
• Jing Zhang,
• Xibin Yi,
• Benxue Liu,
• Xinfu Zhao and
• Xiaochan Liu

Beilstein J. Nanotechnol. 2020, 11, 240–251, doi:10.3762/bjnano.11.18

• corresponding to the Mo 3d5/2 and Mo 3d3/2 levels of Mo6+, respectively [39]. Figure 4f shows the core-level spectrum of O 1s. It can be divided into two main peaks at 530.4 and 531.2 eV, which are attributed to typical metal–oxygen bonds and oxygen ions of low coordination numbers at the surface, respectively

Rational design of block copolymer self-assemblies in photodynamic therapy

• Maxime Demazeau,
• Laure Gibot,
• Anne-Françoise Mingotaud,
• Patricia Vicendo,
• Clément Roux and
• Barbara Lonetti

Beilstein J. Nanotechnol. 2020, 11, 180–212, doi:10.3762/bjnano.11.15

Molecular architectonics of DNA for functional nanoarchitectures

• Debasis Ghosh,
• Lakshmi P. Datta and
• Thimmaiah Govindaraju

Beilstein J. Nanotechnol. 2020, 11, 124–140, doi:10.3762/bjnano.11.11

Advanced hybrid nanomaterials

• Andreas Taubert,
• Fabrice Leroux,
• Pierre Rabu and
• Verónica de Zea Bermudez

Beilstein J. Nanotechnol. 2019, 10, 2563–2567, doi:10.3762/bjnano.10.247

• nanoparticles [34]. The resulting gold–alendronate nanoplatform combines antitumor activity through drug delivery and photothermal therapy, as illustrated in vitro on the inhibition of prostate cancer cells. In the field of hybrid coordination networks, new lanthanide-based networks synthesized by a solvo

• -ionothermal reaction or organic ligands are reported in “Magnetic and luminescent coordination networks based on imidazolium salts and lanthanides for sensitive ratiometric thermometry” [35]. Compounds associating the imidazolium ligand with several rare earth ions behave as a ratiometric thermometer and

Small protein sequences can induce cellular uptake of complex nanohybrids

• Jan-Philip Merkl,
• Malak Safi,
• Christian Schmidtke,
• Fadi Aldeek,
• Johannes Ostermann,
• Tatiana Domitrovic,
• Sebastian Gärtner,
• John E. Johnson,
• Horst Weller and
• Hedi Mattoussi

Beilstein J. Nanotechnol. 2019, 10, 2477–2482, doi:10.3762/bjnano.10.238

• have also been discussed [12][14][15]. More recently, there have been a few reports discussing the use of luminescent Eu-loaded hydroxyapatite nanocrystals for rapid HeLa cancer cell imaging [9][11][16], or the nanostructure self‐assembly driven by amino acid coordination to increase the biological

• route which relies on direct metal-coordination interactions. Here, amine-to-gold and imidazole-to-gold coordination were applied to couple QDs and AuNPs, or to conjugate His6-MBP-γ onto the AuNPs, respectively [8][23]. AuNPs stabilized with zwitterion-modified lipoic acid (LA-ZW-AuNPs) were selected

Self-assembly of a terbium(III) 1D coordination polymer on mica

• Quentin Evrard,
• Giuseppe Cucinotta,
• Felix Houard,
• Guillaume Calvez,
• Yan Suffren,
• Carole Daiguebonne,
• Olivier Guillou,
• Andrea Caneschi,
• Matteo Mannini and
• Kevin Bernot

Beilstein J. Nanotechnol. 2019, 10, 2440–2448, doi:10.3762/bjnano.10.234

• few molecules maintain their characteristic physical behavior after their conversion from the bulk state into such functional materials. Coordination polymers are very suitable candidates for this purpose as they offer very robust properties as well as high processability [10] and fascinating on

• the observed objects. Results Coordination polymer growth on mica The [Tb(hfac)3·2H2O]n molecular nanochains have been grown via drop casting of a dilute cyclohexane solution on a freshly air-cleaved mica substrate. The mica substrate was chosen because of its low roughness [23] making it particularly

• layering on the mica substrate. This may be a result of i) the geometric distribution of the Tb coordination environment in the deposits similar to what has been observed when SMMs are dissolved in liquid matrixes [27] or ii) a modification of the spin–phonon coupling, as the phonon bath of such deposits

Design of a nanostructured mucoadhesive system containing curcumin for buccal application: from physicochemical to biological aspects

• Sabrina Barbosa de Souza Ferreira,
• Gustavo Braga,
• Évelin Lemos Oliveira,
• Jéssica Bassi da Silva,
• Hélen Cássia Rosseto,
• Lidiane Vizioli de Castro Hoshino,
• Mauro Luciano Baesso,
• Wilker Caetano,
• Craig Murdoch,
• Helen Elizabeth Colley and
• Marcos Luciano Bruschi

Beilstein J. Nanotechnol. 2019, 10, 2304–2328, doi:10.3762/bjnano.10.222

Targeted therapeutic effect against the breast cancer cell line MCF-7 with a CuFe₂O₄/silica/cisplatin nanocomposite formulation

• B. Rabindran Jermy,
• Vijaya Ravinayagam,
• Widyan A. Alamoudi,
• Dana Almohazey,
• Hatim Dafalla,
• Lina Hussain Allehaibi,
• Abdulhadi Baykal,
• Muhammet S. Toprak and
• Thirunavukkarasu Somanathan

Beilstein J. Nanotechnol. 2019, 10, 2217–2228, doi:10.3762/bjnano.10.214

• –vis analysis revealed the functionalization of cisplatin in tetrahedral and octahedral coordination in the CuFe2O4/HYPS composite. Compared to other supports such as mesocellular foam and silicalite, the release of cisplatin using the dialysis membrane technique was found to be superior when CuFe2O4

• multifunctional biomedical applications. The crystalline phase, morphology, magnetization, and coordination environment of various spinel species were characterized using X-ray diffraction (XRD), BET surface area measurements, vibrating sample magnetometry (VSM), diffuse reflectance UV–vis spectroscopy (DR UV–vis

• external magnetic field [18]. In the case of CuFe2O4 with x value between 0.08 and 0.15, a lower saturated magnetization value was observed (≤1.0 emu/g), while increasing the x value to 0.17 showed a high magnetization of 7.65 emu/g. In order to understand the cisplatin coordination environment of CuFe2O4

Mannosylated brush copolymers based on poly(ethylene glycol) and poly(ε-caprolactone) as multivalent lectin-binding nanomaterials

• Stefania Ordanini,
• Wanda Celentano,
• Anna Bernardi and
• Francesco Cellesi

Beilstein J. Nanotechnol. 2019, 10, 2192–2206, doi:10.3762/bjnano.10.212

• ability of glycopolymers to bind lectins was assessed using Concanavalin A (Con A), a model lectin able to recognize α-ᴅ-mannosyl and β-ᴅ-glucosyl residues. At physiological pH values, Con A is a tetramer, composed by four 26 kDa monomeric units, each of them possessing one coordination site [36][37

Green and scalable synthesis of nanocrystalline kuramite

• Andrea Giaccherini,
• Giuseppe Cucinotta,
• Stefano Martinuzzi,
• Enrico Berretti,
• Werner Oberhauser,
• Alessandro Lavacchi,
• Giovanni Orazio Lepore,
• Giordano Montegrossi,
• Maurizio Romanelli,
• Antonio De Luca,
• Massimo Innocenti,
• Vanni Moggi Cecchi,
• Matteo Mannini,
• Antonella Buccianti and
• Francesco Di Benedetto

Beilstein J. Nanotechnol. 2019, 10, 2073–2083, doi:10.3762/bjnano.10.202

• corresponding multiparameter fits. The fit results for the I coordination shell with S are reported in Table 4. EXAFS analysis at the Cu K-edge leads to Cu–S bond distances extremely close to those of Cu in a CTS structure, in the typical range of a four-fold coordination with S (e.g., the work of Bacewicz et

• with Sn in tetrahedral coordination with S atoms in a CTS structure. Although the EXAFS signal is characterized by an almost single-frequency oscillation, the fitting procedure with the sole Sn–S path leads to a residual signal with a well-defined oscillation period. Most of the residual signal was

• marked dampening of the second shell signal. This revealed significant differences between the Sn and Cu local environments, which is probably due to the small crystallite size and the high concentration of defects (in agreement with the XRD broadening). The presence of a second coordination shell with

Synthesis of highly active ETS-10-based titanosilicate for heterogeneously catalyzed transesterification of triglycerides

• Muhammad A. Zaheer,
• David Poppitz,
• Khavar Feyzullayeva,
• Marianne Wenzel,
• Jörg Matysik,
• Radomir Ljupkovic,
• Aleksandra Zarubica,
• Alexander A. Karavaev,
• Andreas Pöppl,
• Roger Gläser and
• Muslim Dvoyashkin

Beilstein J. Nanotechnol. 2019, 10, 2039–2061, doi:10.3762/bjnano.10.200

• zero-field splitting (ZFS) parameter (D >> 10 GHz) and a ratio between rhombic and axial ZFS of 1/3. Such Fe(III) centers have been commonly observed in zeolite and silica materials and were assigned to iron sites with a distorted tetrahedral coordination geometry [56][57]. In addition, P-ETS-10/60

Review of advanced sensor devices employing nanoarchitectonics concepts

• Katsuhiko Ariga,
• Tatsuyuki Makita,
• Masato Ito,
• Taizo Mori,
• Shun Watanabe and
• Jun Takeya

Beilstein J. Nanotechnol. 2019, 10, 2014–2030, doi:10.3762/bjnano.10.198

• frameworks and porous coordination polymers have received much attention because of the various functional nanoporous structures that can be engineered through self-assembly from selected components [127][128][129][130]. Pan, Su, and co-workers fabricated metal–organic framework materials with microporous

• (Coordination Asymmetry) and CREST JST Grant Number JPMJCR1665.