A single-source precursor route to anisotropic halogen-doped zinc oxide particles as a promising candidate for new transparent conducting oxide materials

• Daniela Lehr,
• Markus R. Wagner,
• Johanna Flock,
• Julian S. Reparaz,
• Clivia M. Sotomayor Torres,
• Alexander Klaiber,
• Thomas Dekorsy and
• Sebastian Polarz

Beilstein J. Nanotechnol. 2015, 6, 2161–2172, doi:10.3762/bjnano.6.222

• equivalent resulting in one distinct signal in 1H and 13C NMR, there are now two different tert-butoxy groups with a ratio of 3:1 in 2a and slightly different chemical shifts (Figure S1, Supporting Information File 1). Further evidence of the molecular structure results from comparison and analysis of the FT

Nanofibers for drug delivery – incorporation and release of model molecules, influence of molecular weight and polymer structure

• Jakub Hrib,
• Jakub Sirc,
• Radka Hobzova,
• Zuzana Hampejsova,
• Zuzana Bosakova,
• Marcela Munzarova and
• Jiri Michalek

Beilstein J. Nanotechnol. 2015, 6, 1939–1945, doi:10.3762/bjnano.6.198

• PVA with water molecules during immersion – the PVA molecular structure contains hydroxy groups, which interact with water molecules at the expense of the interaction with PEG molecules, which are consequently released faster. The lower polarity of PCL and PLA and therefore weaker interaction with

Possibilities and limitations of advanced transmission electron microscopy for carbon-based nanomaterials

• Xiaoxing Ke,
• Carla Bittencourt and
• Gustaaf Van Tendeloo

Beilstein J. Nanotechnol. 2015, 6, 1541–1557, doi:10.3762/bjnano.6.158

• electrons, and therefore provide the anchoring points with a certain degree of flexibility allowing for the movement of the Ru4POM molecules. Additionally, a continuous deformation of the molecular structure is noticed throughout the imaging. A typical example is demonstrated in Figure 8c–i. The acquired

Transformations of PTCDA structures on rutile TiO₂ induced by thermal annealing and intermolecular forces

• Szymon Godlewski,
• Jakub S. Prauzner-Bechcicki,
• Thilo Glatzel,
• Ernst Meyer and
• Marek Szymoński

Beilstein J. Nanotechnol. 2015, 6, 1498–1507, doi:10.3762/bjnano.6.155

• ordered layer. In contrast, our main concern here is the transformation of the molecular structure driven by thermal annealing. Thus, we systematically analyse the impact of post-deposition annealing and deposition at elevated temperatures on the self-assembly processes for different adsorbate coverage

Electron and heat transport in porphyrin-based single-molecule transistors with electro-burnt graphene electrodes

• Hatef Sadeghi,
• Sara Sangtarash and
• Colin J. Lambert

Beilstein J. Nanotechnol. 2015, 6, 1413–1420, doi:10.3762/bjnano.6.146

• charge transport by means of an effective tight binding model. Finally, we investigate the thermoelectric properties of the device. Results and Discussion Figure 1 shows the molecular structure of the porphyrin-based single-molecule transistor (SET), which consists of two electro-burnt graphene

• as described in [29][30], the thermal properties of a given device could be calculated from the transmission coefficient, T(E). The thermopower (S) and electronic contribution in thermal conductance (κe) as a function of the temperature (T) can be written as: where . Porphyrin SET molecular structure

PLGA nanoparticles as a platform for vitamin D-based cancer therapy

• Maria J. Ramalho,
• Joana A. Loureiro,
• Bárbara Gomes,
• Manuela F. Frasco,
• Manuel A. N. Coelho and
• M. Carmo Pereira

Beilstein J. Nanotechnol. 2015, 6, 1306–1318, doi:10.3762/bjnano.6.135

• of hypercalcemia [14]. Also, vitamin D3 is sensitive to many external and environmental factors such as temperature changes, oxygen pressure, light, etc. that may affect the molecular structure and the associated functionality [15]. Studies also show that more than 75% of vitamin D intake is

Electrical characterization of single molecule and Langmuir–Blodgett monomolecular films of a pyridine-terminated oligo(phenylene-ethynylene) derivative

• Henrry M. Osorio,
• Santiago Martín,
• María Carmen López,
• Santiago Marqués-González,
• Simon J. Higgins,
• Richard J. Nichols,
• Paul J. Low and
• Pilar Cea

Beilstein J. Nanotechnol. 2015, 6, 1145–1157, doi:10.3762/bjnano.6.116

• consisting of the molecular π* LUMO coupled to Au p states at the binding site [105]. In addition, the direct N–Au (D–A) bond between the highly conjugated molecular structure of 1 and the metal electrode [74] avoids any non-conjugated spacer groups. In single molecule conductance studies, conjugated

A versatile strategy towards non-covalent functionalization of graphene by surface-confined supramolecular self-assembly of Janus tectons

• Ping Du,
• David Bléger,
• Fabrice Charra,
• Vincent Bouchiat,
• David Kreher,
• Fabrice Mathevet and
• André-Jean Attias

Beilstein J. Nanotechnol. 2015, 6, 632–639, doi:10.3762/bjnano.6.64

• possibility to transfer the graphene monolayer onto various substrates, should open up new opportunities in nanoscience. Molecular structure and schematic representation of the “molecular clip” illustrating its specific molecular bonding onto HOPG and showing the rigorous preservation of the Groszek structure

• –C), along with the anticipated self-assembly (D–F). Figure adapted with permission from [26], copyright 2007 Wiley-VCH Verlag GmbH & Co. Compound IV: (A) molecular structure and (B) self-assembly of IV demonstrated by a high-resolution STM image of a monolayer domain of (IV) formed at the interface

Raman spectroscopy as a tool to investigate the structure and electronic properties of carbon-atom wires

• Alberto Milani,
• Matteo Tommasini,
• Valeria Russo,
• Andrea Li Bassi,
• Andrea Lucotti,
• Franco Cataldo and
• Carlo S. Casari

Beilstein J. Nanotechnol. 2015, 6, 480–491, doi:10.3762/bjnano.6.49

• . Indeed, this possibility exploits the connection between the molecular structure, the electronic properties and the vibrational properties, which is well documented for all π-conjugated carbon systems [26][27][28][29]. The infinite wire model affords a reliable interpretation of the experimental data

• ], thus hindering the detection of these CH2 twisting modes. Based on the above discussion, it should be clear how end effects might affect the overall properties of sp-carbon chains, not only by modifying the molecular structure (i.e., BLA) but also by influencing the electronic and vibrational

• electronic structure of the wire, we can expect some effect also on the molecular structure. This is due to the strong, characteristic electron–phonon coupling existing in π-conjugated systems which connects the electronic effects with the structure of the sp chain. This indeed occurs, as demonstrated by the

Synthesis of boron nitride nanotubes and their applications

• Saban Kalay,
• Zehra Yilmaz,
• Ozlem Sen,
• Melis Emanet,
• Emine Kazanc and
• Mustafa Çulha

Beilstein J. Nanotechnol. 2015, 6, 84–102, doi:10.3762/bjnano.6.9

• a variety of fields including medicine and biomedical applications. Two approaches to alter the surface properties of BNNTs are commonly employed: one is through covalent attachment of a molecule or molecular structure, and the other involves the physical adsorption of a molecular structure or a

Materials and characterization techniques for high-temperature polymer electrolyte membrane fuel cells

• Roswitha Zeis

Beilstein J. Nanotechnol. 2015, 6, 68–83, doi:10.3762/bjnano.6.8

• conditions. This can be explained by the molecular structure of Nafion shown in Figure 1. The polytetrafluoroethylene (Teflon®)-like molecular backbone gives Nafion its mechanical and chemical stability, while the sulfonic acid functional groups (–SO3−H+) provides charge sites for proton transport. Nafion

Influence of the supramolecular architecture on the magnetic properties of a Dy^III single-molecule magnet: an ab initio investigation

• Julie Jung,
• Olivier Cador,
• Kevin Bernot,
• Fabrice Pointillart,
• Javier Luzon and
• Boris Le Guennic

Beilstein J. Nanotechnol. 2014, 5, 2267–2274, doi:10.3762/bjnano.5.236

• ) and the angle (α, degrees) between the experimental and computed easy axes are also given. Supporting Information Supporting information features molecular structure and magnetic properties of Dy2, as well as susceptibility tensor and calculated charges and potentials of Dy1. Supporting Information

• charges were computed by using the LoProp approach [57]. Magnetic measurements. Angular-resolved magnetometry was performed on a single-crystal of Dy1 with a Quantum Design MPMS-XL SQUID magnetometer by using the horizontal-rotator option. The background of the sample holder was subtracted. Molecular

• structure of Dy1 (top). Dy, O, N, C, S and F atoms are depicted in light blue, red, blue, grey, yellow and green, respectively. H atoms are omitted for clarity. Inset: Experimental (black) and theoretical (green) ground state anisotropy axes are shown on the coordination polyhedron. Thermal variation of χMT

Spectroscopic mapping and selective electronic tuning of molecular orbitals in phosphorescent organometallic complexes – a new strategy for OLED materials

• Pascal R. Ewen,
• Jan Sanning,
• Tobias Koch,
• Nikos L. Doltsinis,
• Cristian A. Strassert and
• Daniel Wegner

Beilstein J. Nanotechnol. 2014, 5, 2248–2258, doi:10.3762/bjnano.5.234

• ) are powerful tools to correlate the electronic properties of phosphorescent complexes (i.e., triplet emitters) with their molecular structure as well as the local environment around a single molecule. We used spectroscopic mapping to visualize several occupied and unoccupied molecular frontier

• complexes show a peculiar site-specific hybridization to the Au(111) substrate that only involves the Pt atom but leaves the ligand orbitals essentially unaltered. We also show that different substituents at particular positions of the molecular structure alter the HOMO and LUMO levels, and we propose a

• . TLs of neighboring molecules as well as the pyridine AL of complex C1 seem to be packed in a steric fashion. However, we attribute the different patterns of C2 to additional van der Waals forces between the amyl chains [38][39]. We note that an additional molecular structure is evident in the third

Characterization of 10,12-pentacosadiynoic acid Langmuir–Blodgett monolayers and their use in metal–insulator–metal tunnel devices

• Saumya Sharma,
• Mohamad Khawaja,
• Manoj K. Ram,
• D. Yogi Goswami and
• Elias Stefanakos

Beilstein J. Nanotechnol. 2014, 5, 2240–2247, doi:10.3762/bjnano.5.233

• (>99.8%, Sigma-Aldrich). Figure 1 shows the molecular structure and UV-polymerized structure of the PDA molecule. The pH value of the water subphase was found to be 6.8. Surface tension–area isotherms were obtained using the KSV NIMA Langmuir–Blodgett Trough system for samples with varying volume and

Electronic and electrochemical doping of graphene by surface adsorbates

• Hugo Pinto and
• Alexander Markevich

Beilstein J. Nanotechnol. 2014, 5, 1842–1848, doi:10.3762/bjnano.5.195

• Chemical Socieity. Molecular structure of a) pyrenetetrasulfonic acid (TPA) and b) tetracyanoethylene (TCNE). Molecular structure of toluene (C6H5CH3). Resistance (kOhm) as a function of the gate voltage (Vg) a) for pristine graphene after annealing in vacuum, b) after exposure to toluene and c) and

Observation and analysis of structural changes in fused silica by continuous irradiation with femtosecond laser light having an energy density below the laser-induced damage threshold

• Wataru Nomura,
• Tadashi Kawazoe,
• Takashi Yatsui,
• Makoto Naruse and
• Motoichi Ohtsu

Beilstein J. Nanotechnol. 2014, 5, 1334–1340, doi:10.3762/bjnano.5.146

• photogenerated carriers in a degraded silica substrate and a damaged silica substrate and observed a Raman signal originating from a specific molecular structure of silica. From these findings, we concluded that compositional changes in the molecular structure occurred during degradation due to femtosecond laser

• relaxation lifetime, we found that compositional changes in the molecular structure occurred as laser-induced degradation proceeded. Results and Discussion 1 Evaluation of laser-induced degradation of fused silica 1.1 Surface roughness dependence of threshold fluence in laser-induced degradation First, to

• the Raman signal from silica with a specific molecular structure is increased by irradiation with fs laser light having an energy density above the LIDT [19], and sample E is also thought to be mainly formed of six-membered rings in a similar fashion. Although there is no molecular structure of silica

PEGylated versus non-PEGylated magnetic nanoparticles as camptothecin delivery system

• Paula M. Castillo,
• Mario de la Mata,
• Maria F. Casula,
• José A. Sánchez-Alcázar and
• Ana P. Zaderenko

Beilstein J. Nanotechnol. 2014, 5, 1312–1319, doi:10.3762/bjnano.5.144

• covalent attachment of targeting cargoes such as antibodies. Molecular structure of (S)-(+)-camptothecin (1) and its inactive form (2) through lactone ring hydrolysis at physiological pH. Bright field (a) and dark field (b) transmission electron microscopy (TEM) images and diffraction pattern (c) of USM

Model systems for studying cell adhesion and biomimetic actin networks

• Dorothea Brüggemann,
• Johannes P. Frohnmayer and
• Joachim P. Spatz

Beilstein J. Nanotechnol. 2014, 5, 1193–1202, doi:10.3762/bjnano.5.131

• understanding the basic functions of living cells including signalling pathways, gene regulation and the molecular structure of cellular components. However, with each new discovery it becomes clearer that cells are very complex, active systems with many parts interlinked to each other. This complexity makes it

• Geiger and co-workers [24][25]. Further fundamental roles of integrin molecules in signalling and other cellular functions have been studied by using various knockdown animal models [7][26][27][28]. Studies on the molecular structure of integrins over the past 28 years have revealed that these adhesion

Characterization and photocatalytic study of tantalum oxide nanoparticles prepared by the hydrolysis of tantalum oxo-ethoxide Ta₈(μ₃-O)₂(μ-O)₈(μ-OEt)₆(OEt)₁₄

• Subia Ambreen,
• N D Pandey,
• Peter Mayer and
• Ashutosh Pandey

Beilstein J. Nanotechnol. 2014, 5, 1082–1090, doi:10.3762/bjnano.5.121

• cis pairs of terminal OEt ligands, single terminal OEt ligands and μ-OEt groups. Crystal structure Compound 1 was found in the monoclinic space group P21/n with Z = 2. The molecular structure (Figure 1) consists of a centrosymmetric unit of formula Ta8(μ3-O)2(μ-O)8(μ-OEt)6(OEt)14 (1). Each molecule

• remaining dye. ORTEP representation of the molecular structure of 1 in the crystal (hydrogen atoms are omitted for clarity). XRD pattern of Ta2O5 nanoparticles calcined at 750 °C for 4 h. SEM image of Ta2O5 nanoparticles calcined at 750 °C for 4 h. Size and distribution of TOPO-coated Ta2O5 nanoparticles in

En route to controlled catalytic CVD synthesis of densely packed and vertically aligned nitrogen-doped carbon nanotube arrays

• Slawomir Boncel,
• Sebastian W. Pattinson,
• Valérie Geiser,
• Milo S. P. Shaffer and
• Krzysztof K. K. Koziol

Beilstein J. Nanotechnol. 2014, 5, 219–233, doi:10.3762/bjnano.5.24

• tip and at the bottom of the nanotube are witnesses and remains of the growth process. It must be also emphasized here that catalyst particles were absent in the MWCNT tips. Based on results from FT-IR and Raman spectroscopy, and TG measurements, some important premises on the molecular structure of N

Spin relaxation in antiferromagnetic Fe–Fe dimers slowed down by anisotropic Dy^III ions

• Valeriu Mereacre,
• Frederik Klöwer,
• Yanhua Lan,
• Rodolphe Clérac,
• Juliusz A. Wolny,
• Volker Schünemann,
• Christopher E. Anson and
• Annie K. Powell

Beilstein J. Nanotechnol. 2013, 4, 807–814, doi:10.3762/bjnano.4.92

• described as distorted bicapped trigonal prisms. The molecular structure of the Fe4Y2 aggregate in 2 is very similar to that of the Fe4Dy2 in 1, and differs only in the replacement of the n-butyl groups in 1 by methyl groups and the replacement of DyIII by YIII. At temperatures higher than 20 K the

• other relevant model compounds [16][17][18]. The presence of two doublets with different quadrupole splittings (ΔEQ) indicates two Fe sites with different coordination spheres, in agreement with both the molecular structure and bond length distortion (BLD) calculations: Fe(1) and Fe(3) = 3.95 and 3.82

• , Cambridge CB2 1EZ, UK: e-mail: data_request@ccdc.cam.ac.uk, fax: +44 1223 336033 or http://www.ccdc.cam.ac.uk/cgi-bin/catreq.cgi. Molecular structure of [Fe4Dy2(OH)2(N-nbdea)4((CH3)3CCOO)6(N3)2] and its core. Solvent molecules, disordered atoms and organic H atoms have been omitted for clarity. Dy blue; Fe

Optimization of solution-processed oligothiophene:fullerene based organic solar cells by using solvent additives

• Gisela L. Schulz,
• Marta Urdanpilleta,
• Roland Fitzner,
• Eduard Brier,
• Elena Mena-Osteritz,
• Egon Reinold and
• Peter Bäuerle

Beilstein J. Nanotechnol. 2013, 4, 680–689, doi:10.3762/bjnano.4.77

• , “small” molecules, have the advantage of possessing a defined molecular structure that is monodisperse in nature and allows for purification and characterization, which leads to the derivation of valuable structure–property relationships. Problems with respect to reproducibility of solar cell results due

New hybrid materials based on poly(ethyleneoxide)-grafted polysilazane by hydrosilylation and their anti-fouling activities

• Thi Dieu Hang Nguyen,
• François-Xavier Perrin and
• Dinh Lam Nguyen

Beilstein J. Nanotechnol. 2013, 4, 671–677, doi:10.3762/bjnano.4.75

• dried under vacuum before usage. The polysilazane precursor, polylmethyhydrosilazane containing triethoxysilanes, was provided by the Clariant Company. The molecular structure of the polysilazane precursor is described on Figure 1. PSZ was used as received without any further purification. Allyl bromide

• indispensable to find the optimal conditions for grafting allyl-PEO2000 on the PSZ chain in order to improve the degree of hydrosilylation and to increase the density of grafted allyl-PEO2000 molecules in PSZ-PEO anti-fouling surfaces. Molecular structure and distribution of the functional groups of the

Large-scale atomistic and quantum-mechanical simulations of a Nafion membrane: Morphology, proton solvation and charge transport

• Pavel V. Komarov,
• Pavel G. Khalatur and
• Alexei R. Khokhlov

Beilstein J. Nanotechnol. 2013, 4, 567–587, doi:10.3762/bjnano.4.65

• current literature (see, for example [5][6][7][8][9][10][11][12]). The importance of optimizing the morphology becomes clear in the following example. In order to achieve high proton conductivity, the molecular structure should be such that the hydrated membrane contains wide interconnected water channels

Selective surface modification of lithographic silicon oxide nanostructures by organofunctional silanes

• Thomas Baumgärtel,
• Christian von Borczyskowski and
• Harald Graaf

Beilstein J. Nanotechnol. 2013, 4, 218–226, doi:10.3762/bjnano.4.22

• to steric reasons as well as the molecular structure and would also be contradictory to the AFM-investigations. It may also be possible that the fluorescence is quenched by an efficient energy transfer between densely packed FITC molecules on the structure. However, such an effect can be excluded by