Számítógéppel segített gyártás (CAM)

L

A new approach to the determination of the uncertainty in neutron diffraction experiments with isotopic substitution method

N eutron diffraction experiment with isotopically substituted substances is a powerful approach claiming to yield unambiguous information about the local atomic structure in disordered materials. This information is expressed in the partial structure factors , and extracting them from a series of measurements requires solution of a set of linear equations that is affected by experimental errors. In this article, we suggest a method for the determination of the optimal set of H/D compositions with or without ta king into account the experimental error. For the case of water, our investigations show that the selection of the isotope concentrations and the distribution of measurement time among the various samples have critical role if one wants to utilize the limi ted neutron beam time efficiently. It is well known that measurements of pure H 2 O introduce fairly large errors in the partial structure factors due to its very strong incoherent scattering. On water and methanol as examples, we investigated the propagatio n of random errors to the partial structure factors using partial pair - correlation functions from molecular dynamics simulation. It is shown on the example of water that it is not worthwhile measur ing pure H 2 O

Novel graphene/Sn and graphene/SnOx hybrid nanostructures: Induced superconductivity and band gaps revealed by scanning probe measurements

Abstract The development of functional composite nanomaterials based on graphene and metal nanoparticles (NPs) is currently the subject of intense research interest. In this study we report the preparation of novel type of graphene/Sn and graphene/SnOx (1 ≤ x ≤ 2) hybrid nanostructures and their investigation by scanning probe methods. First, we prepare Sn NPs by evaporating 7–8 nm tin on highly oriented pyrolytic graphite substrates. Graphene/Sn nanostructures are obtained by transferring graphene on top of the tin NPs immediately after evaporation. We show by scanning tunnelling microscopy (STM) and spectroscopy (STS) that tin NPs reduce significantly the environmental p-type doping of graphene. Furthermore, we demonstrate by low-temperature STM and STS measurements that superconductivity is induced in graphene, either directly supported by Sn NPs or suspended between them. Additionally, we prepare SnOx NPs by annealing the evaporated tin at 500 °C. STS measurements performed on hybrid graphene/SnOx nanostructures reveal the electronic band gap of SnOx NPs. The results can open new avenues for the fabrication of novel hybrid superconducting nanomaterials with designed structures and morphologies

A stimuli-responsive double-stranded digold(I) helicate

We report herein a stimuli-responsive dinuclear double stranded [Au2L2]2+ helicate assembled from gold(I) atoms and phenyl-substituted diphosphine ligands derived from a xanthene-type backbone (L). The conformational flexibility of the dinuclear [Au2L2]2+ helicate allows a diversity of molecular conformations and packing arrangements that lead to different solid-state emission colours. Blue (IB), bluish green (IIG) and yellow (IIIY) emitting crystalline and red emitting (IVR) amorphous forms of this double stranded [Au2L2]2+ helicate have been obtained by slight modification of the crystallization conditions. Different molecular conformations and packing arrangements of dinuclear double stranded [Au2L2]2+ helicates that result in different non-covalent interactions played the most significant role in tailoring the solid-state luminescence properties. On the basis of the single crystal structural data and photophysical studies, we found that an increasing number of intra- and mainly intermolecular noncovalent interactions locked and rigidified the twisted conformation of the double stranded [Au2L2]2+ helicate, and enhanced π-stacking between its aromatic units induced the red-shift in solid-state luminescence emission. The solid-state luminescence colour of this double stranded [Au2L2]2+ helicate can be switched reversibly from blue to red by external (mechanical and chemical) stimuli

Graphene-Encapsulated Silver Nanoparticles for Plasmonic Vapor Sensing

Graphene-covered silver nanoparticles were prepared directly on highly oriented pyrolytic graphite substrates and characterized by atomic force microscopy. UV-Vis reflectance spectroscopy was used to measure the shift in the local surface plasmon resonance (LSPR) upon exposure to acetone, ethanol, 2-propanol, toluene, and water vapor. The optical responses were found to be substance-specific, as also demonstrated by principal component analysis. Point defects were introduced in the structure of the graphene overlayer by O-2 plasma. The LSPR was affected by the plasma treatment, but it was completely recovered using subsequent annealing. It was found that the presence of defects increased the response for toluene and water while decreasing it for acetone