Search results for "Faces"
showing 10 items of 3167 documents
Steering molecular island morphology on an insulator surface by exploiting sequential deposition
2011
Depending on the deposition order in coadsorption of C(60) and SubPc molecules on CaF(2) (111), distinctly different island morphologies can be obtained. We demonstrate that non-equilibrium processes can play a significant role in molecular structure formation and constitute a new route for complex molecular patterning of an insulating surface.
Rotational spectrum and equilibrium structure of silanethione, H2SiS
2008
Unsubstituted silanethione, H(2)Si=S, has been characterized experimentally for the first time by means of rotational spectroscopy; the equilibrium structure of this fundamental molecule has been evaluated through a combination of experimental data from a total of ten isotopologues and results of high-level coupled-cluster calculations.
Structure and stability of hexadentate complexes of ligands based on AAZTA for efficient PET labelling with gallium-68
2012
Pre-organised tricarboxylate ligands based on 6-amino-perhydro-1,4-diazepine bind (68)Ga rapidly and selectively in acetate buffer at pH 4 to 7, forming kinetically stable complexes suitable for use in PET imaging.
Relatively strong intramolecular antiferromagnetic coupling in a neutral Cr(III)2Nb(V)2 heterobimetallic molecular square.
2015
A relatively large antiferromagnetic interaction between the two chromium(III) ions from the molecular square [{Cr(dmso)4}2{Nb(μ-O)2(C2O4)2}2] () (J = -12.0 cm(-1)) is mediated by the diamagnetic oxo-Nb(V)-oxo pathway, its nature and magnitude being substantiated by DFT type theoretical calculations.
Negative ions and their importance for the analysis of residual gas
1963
Abstract In the case of heavy molecules, mass spectre obtained with the help of positive ions generally lead to the recording of fragments only, and thus do not indicate the true original mass. In order to overcome this drawback, an attempt was made to attach slow electrons to heavy molecules, since less dissociation products are expected with spectre produced by negative ions. As a preliminary experiment, a simple and cheap form of ion source was constructed which produces mainly atomic negative ions.
Understanding the microscopic origin of gold nanoparticle anisotropic growth from molecular dynamics simulations.
2013
We use molecular dynamics simulations in order to understand the microscopic origin of the asymmetric growth mechanism in gold nanorods. We provide the first atomistic model of different surfaces on gold nanoparticles in a growing electrolyte solution, and we describe the interaction of the metal with the surfactants, namely, cetyltrimethylammonium bromide (CTAB) and the ions. An innovative aspect is the inclusion of the role of the surfactants, which are explicitly modeled. We find that on all the investigated surfaces, namely, (111), (110), and (100), CTAB forms a layer of distorted cylindrical micelles where channels among micelles provide direct ion access to the surface. In particular,…
Heat-capacity and neutron-diffraction studies of HD monolayers physisorbed on graphite
1992
Abstract The phase diagram of HD monolayers physisorbed on graphite is studied in detail by using heat-capacity and neutron-diffraction measurements. The following features are observed: At low coverages the system forms a commensurate (C) (√3 × √3)R30° phase and at coverages near monolayer completion an incommensurate (IC) two-dimensional solid phase. The order-disorder transition of the C phase belongs to the three-state Potts universality class. The C-IC transition occurs via two intermediate phases, i.e., the α phase and a novel phase, which is interpreted as an α-IC coexistence region. Though the molecule HD is a strongly incoherent neutron scatterer, for the first time elastic neutron…
Light-emitting electrochemical cells based on a supramolecularly-caged phenanthroline-based iridium complex.
2011
The complex [Ir(ppy)(2)(pphen)][PF(6)] (Hppy = 2-phenylpyridine, pphen = 2-phenyl-1,10-phenanthroline) has been prepared and evaluated as an electroluminescent component for light-emitting electrochemical cells (LECs). Like in analogous LECs using bpy-based iridium(III) complexes a significant enhancement of the device stability is observed.
Photoinduced phenomena in corona poled polar organic films.
2005
Abstract Organic materials have received considerable attention because of their large dipole moments and optical nonlinearities. The optically induced switching of material properties is important for studying the optoelectronic effects including second harmonic generation. Organic materials for photonic applications contain chromophore dipole which consist of acceptor and donor groups bridged by a delocalized π-electron system. Both theoretical and experimental data show a reversible highly dipolar photoinduced intra molecular charge transfer in betaine type molecules accompanied by change of the sign and the value of the dipole moment. The arrangement of polar molecules in films is studi…
Gaseous sensors based on solid proton conductors
1992
Abstract he chemical sensors for different gaseous (alcohol, acetone, ammonia, water vapour) detection at room temperature are developed by using polycrystalline β-alumina and xerogel of antimonic acid hydrate (AAH). The sensitivity and selectivity of sensors depend on the ion-exchange and preparative methods. The possibility of producing different types of potentiometric, amperometric, voltammetric and resistance sensors on the basis of these ion-conducting materials is shown. More success is achieved by producing ammonia-sensitive devices on β-alumina as well as on AAH xerogel.